N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide

C22H25N5O3 — CID 146299113

IUPACN-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1cnccc1Nc1cc(-c2ccccn2)c(=O)[nH]c1C(C)C
InChIInChI=1S/C22H25N5O3/c1-13(2)20-19(10-15(22(30)27-20)17-6-4-5-8-24-17)26-18-7-9-23-12-16(18)21(29)25-11-14(3)28/h4-10,12-14,28H,11H2,1-3H3,(H,23,26)(H,25,29)(H,27,30)
InChIKeyNXPNZERUPHMPGQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.81
Rot. Bonds7

About N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide

N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide (PubChem CID 146299113) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide
PubChem CID146299113
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1cnccc1Nc1cc(-c2ccccn2)c(=O)[nH]c1C(C)C
InChIInChI=1S/C22H25N5O3/c1-13(2)20-19(10-15(22(30)27-20)17-6-4-5-8-24-17)26-18-7-9-23-12-16(18)21(29)25-11-14(3)28/h4-10,12-14,28H,11H2,1-3H3,(H,23,26)(H,25,29)(H,27,30)
InChIKeyNXPNZERUPHMPGQ-UHFFFAOYSA-N
XLogP2.81
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;sulfane
CID 159818540
4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 118211120
4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 146299048
N-(2-hydroxypropyl)-2-methyl-3-pyridin-2-ylbenzamide
CID 109399313
4-[[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 155532120
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 118211560
4-[[2-(3-chlorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 118211301
4-amino-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 123975381
N-[2-(methylamino)propyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 120829946
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide (CID 146299113) is N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide is CC(O)CNC(=O)c1cnccc1Nc1cc(-c2ccccn2)c(=O)[nH]c1C(C)C.
What is the InChIKey of N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is NXPNZERUPHMPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13(2)20-19(10-15(22(30)27-20)17-6-4-5-8-24-17)26-18-7-9-23-12-16(18)21(29)25-11-14(3)28/h4-10,12-14,28H,11H2,1-3H3,(H,23,26)(H,25,29)(H,27,30).
What are the key properties of N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide?
N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 146299113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).