N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide

C19H24N6O2 — CID 155782029

IUPACN-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide
SMILESCC(O)CCNC(=O)c1cnc2ccc(-c3cn[nH]c3)nc2c1NC(C)C
InChIInChI=1S/C19H24N6O2/c1-11(2)24-17-14(19(27)20-7-6-12(3)26)10-21-16-5-4-15(25-18(16)17)13-8-22-23-9-13/h4-5,8-12,26H,6-7H2,1-3H3,(H,20,27)(H,21,24)(H,22,23)
InChIKeyYOSOABGDOQXESY-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.34
Rot. Bonds7

About N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide

N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide (PubChem CID 155782029) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide
PubChem CID155782029
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide
SMILESCC(O)CCNC(=O)c1cnc2ccc(-c3cn[nH]c3)nc2c1NC(C)C
InChIInChI=1S/C19H24N6O2/c1-11(2)24-17-14(19(27)20-7-6-12(3)26)10-21-16-5-4-15(25-18(16)17)13-8-22-23-9-13/h4-5,8-12,26H,6-7H2,1-3H3,(H,20,27)(H,21,24)(H,22,23)
InChIKeyYOSOABGDOQXESY-UHFFFAOYSA-N
XLogP2.34
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide
CID 155781980
N-(3-acetamidocyclobutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)quinoline-3-carboxamide
CID 155782016
N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide
CID 155782052
N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide
CID 126821326
N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylcyclopropyl)amino]-6-(1H-pyrazol-4-yl)quinoline-3-carboxamide
CID 164942219
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide
CID 111462962
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide (CID 155782029) is N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide is CC(O)CCNC(=O)c1cnc2ccc(-c3cn[nH]c3)nc2c1NC(C)C.
What is the InChIKey of N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide?
The InChIKey is YOSOABGDOQXESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-11(2)24-17-14(19(27)20-7-6-12(3)26)10-21-16-5-4-15(25-18(16)17)13-8-22-23-9-13/h4-5,8-12,26H,6-7H2,1-3H3,(H,20,27)(H,21,24)(H,22,23).
What are the key properties of N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide?
N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 155782029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).