3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide

C25H27N5O3 — CID 164847486

IUPAC3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1(C)C[C@H]1C(=O)Nc1cc(-c2ccc3c(c2)CCCC[C@H]3c2noc(C(N)=O)n2)ccn1
InChIInChI=1S/C25H27N5O3/c1-25(2)13-19(25)23(32)28-20-12-15(9-10-27-20)14-7-8-17-16(11-14)5-3-4-6-18(17)22-29-24(21(26)31)33-30-22/h7-12,18-19H,3-6,13H2,1-2H3,(H2,26,31)(H,27,28,32)/t18-,19+/m1/s1
InChIKeyOTNADADYFVQCEO-MOPGFXCFSA-N
MW445.52 g/mol
LogP4.07
Rot. Bonds5

About 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide

3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 164847486) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID164847486
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1(C)C[C@H]1C(=O)Nc1cc(-c2ccc3c(c2)CCCC[C@H]3c2noc(C(N)=O)n2)ccn1
InChIInChI=1S/C25H27N5O3/c1-25(2)13-19(25)23(32)28-20-12-15(9-10-27-20)14-7-8-17-16(11-14)5-3-4-6-18(17)22-29-24(21(26)31)33-30-22/h7-12,18-19H,3-6,13H2,1-2H3,(H2,26,31)(H,27,28,32)/t18-,19+/m1/s1
InChIKeyOTNADADYFVQCEO-MOPGFXCFSA-N
XLogP4.07
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

3-[(5S)-2-[2-[[(1R,2R)-2-(trifluoromethyl)cyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 164847468
3-tert-butyl-N-[(5R)-2-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 155288181
3-tert-butyl-N-[(5R)-2-[2-[[(2R)-spiro[2.3]hexane-2-carbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 155288197
N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 155288307
N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 167597399
N-[4-(2-methyl-4-pyrimidin-5-yl-1H-imidazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 155525697
4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 135356278
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclopentanecarboxamide
CID 175474511
5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide
CID 138055679
(1S)-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 129243911
5-tert-butyl-N-[(5S)-2-[2-[(5-methyl-1H-pyrazol-4-yl)amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 137358225
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
CID 175474518

Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide (CID 164847486) is 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide is CC1(C)C[C@H]1C(=O)Nc1cc(-c2ccc3c(c2)CCCC[C@H]3c2noc(C(N)=O)n2)ccn1.
What is the InChIKey of 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OTNADADYFVQCEO-MOPGFXCFSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-25(2)13-19(25)23(32)28-20-12-15(9-10-27-20)14-7-8-17-16(11-14)5-3-4-6-18(17)22-29-24(21(26)31)33-30-22/h7-12,18-19H,3-6,13H2,1-2H3,(H2,26,31)(H,27,28,32)/t18-,19+/m1/s1.
What are the key properties of 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 164847486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).