4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide

C20H22N4O — CID 109217470

IUPAC4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESCC(C)CCNc1ccnc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C20H22N4O/c1-14(2)8-11-21-16-9-12-22-18(13-16)20(25)24-17-7-3-5-15-6-4-10-23-19(15)17/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyNVRPNPIUMXZTMG-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.34
Rot. Bonds6

About 4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide

4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 109217470) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID109217470
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESCC(C)CCNc1ccnc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C20H22N4O/c1-14(2)8-11-21-16-9-12-22-18(13-16)20(25)24-17-7-3-5-15-6-4-10-23-19(15)17/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyNVRPNPIUMXZTMG-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109311825
4-(2-phenylethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109213726
4-hydrazinyl-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235747
5-(2-methylpropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109181365
4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109217395
4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716
4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221140
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109273088

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide (CID 109217470) is 4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide is CC(C)CCNc1ccnc(C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is NVRPNPIUMXZTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(2)8-11-21-16-9-12-22-18(13-16)20(25)24-17-7-3-5-15-6-4-10-23-19(15)17/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 109217470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).