N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide

C42H46N12O3 — CID 161369378

IUPACN-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide
SMILESCCc1cc(C#N)ncc1N(C)c1cc(NC(=O)C2CC2)c2ncn(C)c2c1.CCc1cc(C(N)=O)ncc1N(C)c1cc(NC(=O)C2CC2)c2ncn(C)c2c1
InChIInChI=1S/C21H24N6O2.C21H22N6O/c1-4-12-7-16(20(22)28)23-10-18(12)27(3)14-8-15(25-21(29)13-5-6-13)19-17(9-14)26(2)11-24-19;1-4-13-7-15(10-22)23-11-19(13)27(3)16-8-17(25-21(28)14-5-6-14)20-18(9-16)26(2)12-24-20/h7-11,13H,4-6H2,1-3H3,(H2,22,28)(H,25,29);7-9,11-12,14H,4-6H2,1-3H3,(H,25,28)
InChIKeyVQGKMTLADUIGKY-UHFFFAOYSA-N
MW766.91 g/mol
LogP6.26
Rot. Bonds11

About N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide

N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide (PubChem CID 161369378) has the molecular formula C42H46N12O3 and a molecular weight of 766.91 g/mol. Its IUPAC name is N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide
PubChem CID161369378
Molecular FormulaC42H46N12O3
Molecular Weight766.91 g/mol
Exact Mass766.38
IUPAC NameN-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide
SMILESCCc1cc(C#N)ncc1N(C)c1cc(NC(=O)C2CC2)c2ncn(C)c2c1.CCc1cc(C(N)=O)ncc1N(C)c1cc(NC(=O)C2CC2)c2ncn(C)c2c1
InChIInChI=1S/C21H24N6O2.C21H22N6O/c1-4-12-7-16(20(22)28)23-10-18(12)27(3)14-8-15(25-21(29)13-5-6-13)19-17(9-14)26(2)11-24-19;1-4-13-7-15(10-22)23-11-19(13)27(3)16-8-17(25-21(28)14-5-6-14)20-18(9-16)26(2)12-24-20/h7-11,13H,4-6H2,1-3H3,(H2,22,28)(H,25,29);7-9,11-12,14H,4-6H2,1-3H3,(H,25,28)
InChIKeyVQGKMTLADUIGKY-UHFFFAOYSA-N
XLogP6.26
TPSA192.98 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.91
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[(6-cyano-4-methyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 118235331
cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 126494871
(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 135293094
N-[6-[(2,6-difluoro-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 123394929
5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile
CID 138560012
N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 126494685
5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile
CID 126494720
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile
CID 145234585
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 154504824
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327

Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide?
The IUPAC name of N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide (CID 161369378) is N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide?
The canonical SMILES for N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide is CCc1cc(C#N)ncc1N(C)c1cc(NC(=O)C2CC2)c2ncn(C)c2c1.CCc1cc(C(N)=O)ncc1N(C)c1cc(NC(=O)C2CC2)c2ncn(C)c2c1.
What is the InChIKey of N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide?
The InChIKey is VQGKMTLADUIGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.C21H22N6O/c1-4-12-7-16(20(22)28)23-10-18(12)27(3)14-8-15(25-21(29)13-5-6-13)19-17(9-14)26(2)11-24-19;1-4-13-7-15(10-22)23-11-19(13)27(3)16-8-17(25-21(28)14-5-6-14)20-18(9-16)26(2)12-24-20/h7-11,13H,4-6H2,1-3H3,(H2,22,28)(H,25,29);7-9,11-12,14H,4-6H2,1-3H3,(H,25,28).
What are the key properties of N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide?
N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide has a molecular weight of 766.91 g/mol, XLogP of 6.26, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide is sourced from PubChem (CID 161369378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).