N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide

C21H18N6O3 — CID 171504998

IUPACN-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide
SMILESCc1ccc2nc(C(=O)NCc3ccnc(NC(=O)c4ncccc4O)c3)[nH]c2c1
InChIInChI=1S/C21H18N6O3/c1-12-4-5-14-15(9-12)26-19(25-14)21(30)24-11-13-6-8-22-17(10-13)27-20(29)18-16(28)3-2-7-23-18/h2-10,28H,11H2,1H3,(H,24,30)(H,25,26)(H,22,27,29)
InChIKeyLPESIXZHNHGWKX-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.55
Rot. Bonds5

About N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide

N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide (PubChem CID 171504998) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide
PubChem CID171504998
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide
SMILESCc1ccc2nc(C(=O)NCc3ccnc(NC(=O)c4ncccc4O)c3)[nH]c2c1
InChIInChI=1S/C21H18N6O3/c1-12-4-5-14-15(9-12)26-19(25-14)21(30)24-11-13-6-8-22-17(10-13)27-20(29)18-16(28)3-2-7-23-18/h2-10,28H,11H2,1H3,(H,24,30)(H,25,26)(H,22,27,29)
InChIKeyLPESIXZHNHGWKX-UHFFFAOYSA-N
XLogP2.55
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 54861359
N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide
CID 171504971
3-hydroxy-N-[4-[[(4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2-pyridinyl]pyridine-2-carboxamide
CID 171505011
ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid
CID 143887823
N-(4-chloro-2-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104820977
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 113229810
3-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 61004398
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
CID 168980349
(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide (CID 171504998) is N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide is Cc1ccc2nc(C(=O)NCc3ccnc(NC(=O)c4ncccc4O)c3)[nH]c2c1.
What is the InChIKey of N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide?
The InChIKey is LPESIXZHNHGWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-12-4-5-14-15(9-12)26-19(25-14)21(30)24-11-13-6-8-22-17(10-13)27-20(29)18-16(28)3-2-7-23-18/h2-10,28H,11H2,1H3,(H,24,30)(H,25,26)(H,22,27,29).
What are the key properties of N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide?
N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 171504998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).