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

C25H24N4O — CID 109217230

IUPACN-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C25H24N4O/c1-18(2)29(17-19-8-4-3-5-9-19)25(30)23-16-21(13-15-26-23)28-22-12-6-10-20-11-7-14-27-24(20)22/h3-16,18H,17H2,1-2H3,(H,26,28)
InChIKeyKRJMFPRCJDPMKJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.42
Rot. Bonds6

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

N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide (PubChem CID 109217230) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
PubChem CID109217230
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C25H24N4O/c1-18(2)29(17-19-8-4-3-5-9-19)25(30)23-16-21(13-15-26-23)28-22-12-6-10-20-11-7-14-27-24(20)22/h3-16,18H,17H2,1-2H3,(H,26,28)
InChIKeyKRJMFPRCJDPMKJ-UHFFFAOYSA-N
XLogP5.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217237
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109210497
N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217127
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109211474
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109202242
N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109234803
4-(2-phenylethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109213726
N-benzyl-2-(3-cyanoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311728
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide (CID 109217230) is N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cc(Nc2cccc3cccnc23)ccn1.
What is the InChIKey of N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The InChIKey is KRJMFPRCJDPMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18(2)29(17-19-8-4-3-5-9-19)25(30)23-16-21(13-15-26-23)28-22-12-6-10-20-11-7-14-27-24(20)22/h3-16,18H,17H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109217230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).