N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

C22H23N7O3 — CID 166834017

IUPACN-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(Nc4cccc(NCCO)n4)n(C)c3c2)ccn1
InChIInChI=1S/C22H23N7O3/c1-14(31)25-21-13-16(8-9-23-21)32-15-6-7-17-18(12-15)29(2)22(26-17)28-20-5-3-4-19(27-20)24-10-11-30/h3-9,12-13,30H,10-11H2,1-2H3,(H,23,25,31)(H2,24,26,27,28)
InChIKeyKSJKRZYVSOZRCR-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.26
Rot. Bonds8

About N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 166834017) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID166834017
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC NameN-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(Nc4cccc(NCCO)n4)n(C)c3c2)ccn1
InChIInChI=1S/C22H23N7O3/c1-14(31)25-21-13-16(8-9-23-21)32-15-6-7-17-18(12-15)29(2)22(26-17)28-20-5-3-4-19(27-20)24-10-11-30/h3-9,12-13,30H,10-11H2,1-2H3,(H,23,25,31)(H2,24,26,27,28)
InChIKeyKSJKRZYVSOZRCR-UHFFFAOYSA-N
XLogP3.26
TPSA126.22 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[2-[[1-(cyclohexylmethyl)-5-(trifluoromethyl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157042111
N-[4-[2-[[5-(azetidin-1-yl)-2-oxo-1-propan-2-yl-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157041917
N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 166833658
N-[4-[3-methyl-2-[[1,1,2-trimethyl-3-oxo-7-(trifluoromethyl)isoindol-5-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157041526
1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 167545220
N-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 59790245
N-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide
CID 59790061
N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 59790180
N-[4-[2-(4-chloro-3-propan-2-ylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 69034357
6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-(hydroperoxymethyl)pyrazol-3-yl]-1-methylbenzimidazol-2-amine
CID 157041590
N-[4-[2-[[5-cyclopropyl-2-oxo-1-[(2-phenylmethoxycyclopentyl)methyl]-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157042156
N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 165042495

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (CID 166834017) is N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3nc(Nc4cccc(NCCO)n4)n(C)c3c2)ccn1.
What is the InChIKey of N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is KSJKRZYVSOZRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-14(31)25-21-13-16(8-9-23-21)32-15-6-7-17-18(12-15)29(2)22(26-17)28-20-5-3-4-19(27-20)24-10-11-30/h3-9,12-13,30H,10-11H2,1-2H3,(H,23,25,31)(H2,24,26,27,28).
What are the key properties of N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 3.26, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 166834017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).