4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide

C23H24N6O — CID 155781980

IUPAC4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide
SMILESCC(C)Nc1c(C(=O)NCCc2cccnc2)cnc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C23H24N6O/c1-15(2)29-22-19-10-17(18-12-27-28-13-18)5-6-21(19)26-14-20(22)23(30)25-9-7-16-4-3-8-24-11-16/h3-6,8,10-15H,7,9H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)
InChIKeyAYWCOYZUDDEWJU-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.81
Rot. Bonds7

About 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide

4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide (PubChem CID 155781980) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide
PubChem CID155781980
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide
SMILESCC(C)Nc1c(C(=O)NCCc2cccnc2)cnc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C23H24N6O/c1-15(2)29-22-19-10-17(18-12-27-28-13-18)5-6-21(19)26-14-20(22)23(30)25-9-7-16-4-3-8-24-11-16/h3-6,8,10-15H,7,9H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)
InChIKeyAYWCOYZUDDEWJU-UHFFFAOYSA-N
XLogP3.81
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidocyclobutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)quinoline-3-carboxamide
CID 155782016
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569
6-(2-methoxypyrimidin-5-yl)-N-(2-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 172656290
4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide
CID 162631073
2-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 39561652
4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238475
4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide
CID 122564685
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
2-fluoro-4-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104928329
4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide
CID 24857650

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide?
The IUPAC name of 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide (CID 155781980) is 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide is CC(C)Nc1c(C(=O)NCCc2cccnc2)cnc2ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide?
The InChIKey is AYWCOYZUDDEWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-15(2)29-22-19-10-17(18-12-27-28-13-18)5-6-21(19)26-14-20(22)23(30)25-9-7-16-4-3-8-24-11-16/h3-6,8,10-15H,7,9H2,1-2H3,(H,25,30)(H,26,29)(H,27,28).
What are the key properties of 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide?
4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 155781980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).