N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide

C22H17N5O3 — CID 171504971

IUPACN-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide
SMILESO=C(Nc1cc(CNC(=O)c2cccc3cccnc23)ccn1)c1ncccc1O
InChIInChI=1S/C22H17N5O3/c28-17-7-3-10-25-20(17)22(30)27-18-12-14(8-11-23-18)13-26-21(29)16-6-1-4-15-5-2-9-24-19(15)16/h1-12,28H,13H2,(H,26,29)(H,23,27,30)
InChIKeyAUJDIWYGRITQLQ-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.91
Rot. Bonds5

About N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide

N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide (PubChem CID 171504971) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide
PubChem CID171504971
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC NameN-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide
SMILESO=C(Nc1cc(CNC(=O)c2cccc3cccnc23)ccn1)c1ncccc1O
InChIInChI=1S/C22H17N5O3/c28-17-7-3-10-25-20(17)22(30)27-18-12-14(8-11-23-18)13-26-21(29)16-6-1-4-15-5-2-9-24-19(15)16/h1-12,28H,13H2,(H,26,29)(H,23,27,30)
InChIKeyAUJDIWYGRITQLQ-UHFFFAOYSA-N
XLogP2.91
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide with MolForge

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Related Compounds

3-hydroxy-N-[4-[[(4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2-pyridinyl]pyridine-2-carboxamide
CID 171505011
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide
CID 171504998
N-(4-chloro-2-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104820977
3-hydroxy-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 54861359
N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 171504927
N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide
CID 114307205
N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]quinoline-8-carboxamide
CID 11396455
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
N-[2-[(4-hydroxybenzoyl)amino]ethyl]quinoline-8-carboxamide
CID 60517244

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide (CID 171504971) is N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide is O=C(Nc1cc(CNC(=O)c2cccc3cccnc23)ccn1)c1ncccc1O.
What is the InChIKey of N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide?
The InChIKey is AUJDIWYGRITQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c28-17-7-3-10-25-20(17)22(30)27-18-12-14(8-11-23-18)13-26-21(29)16-6-1-4-15-5-2-9-24-19(15)16/h1-12,28H,13H2,(H,26,29)(H,23,27,30).
What are the key properties of N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide?
N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 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]quinoline-8-carboxamide is sourced from PubChem (CID 171504971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).