N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide

C24H22N4O2 — CID 109221912

IUPACN-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C24H22N4O2/c1-16(2)30-22-11-4-3-9-19(22)28-24(29)21-15-18(12-14-25-21)27-20-10-5-7-17-8-6-13-26-23(17)20/h3-16H,1-2H3,(H,25,27)(H,28,29)
InChIKeyZYDDRYSVYCSALT-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.41
Rot. Bonds6

About N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide

N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide (PubChem CID 109221912) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
PubChem CID109221912
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C24H22N4O2/c1-16(2)30-22-11-4-3-9-19(22)28-24(29)21-15-18(12-14-25-21)27-20-10-5-7-17-8-6-13-26-23(17)20/h3-16H,1-2H3,(H,25,27)(H,28,29)
InChIKeyZYDDRYSVYCSALT-UHFFFAOYSA-N
XLogP5.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129615
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221907
4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716
4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221140
4-hydrazinyl-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235747
4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109217470
4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109211753
4-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214232
N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217543
N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206145

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide (CID 109221912) is N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cc(Nc2cccc3cccnc23)ccn1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The InChIKey is ZYDDRYSVYCSALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16(2)30-22-11-4-3-9-19(22)28-24(29)21-15-18(12-14-25-21)27-20-10-5-7-17-8-6-13-26-23(17)20/h3-16H,1-2H3,(H,25,27)(H,28,29).
What are the key properties of N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109221912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).