6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine

C42H47ClN10O2 — CID 159521420

IUPAC6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine
SMILESCNC(=O)c1cnc(Cl)cc1NC1CCCC1.CNC(=O)c1cnc(Nc2ccc3ccccc3n2)cc1NC1CCCC1.Nc1ccc2ccccc2n1
InChIInChI=1S/C21H23N5O.C12H16ClN3O.C9H8N2/c1-22-21(27)16-13-23-20(12-18(16)24-15-7-3-4-8-15)26-19-11-10-14-6-2-5-9-17(14)25-19;1-14-12(17)9-7-15-11(13)6-10(9)16-8-4-2-3-5-8;10-9-6-5-7-3-1-2-4-8(7)11-9/h2,5-6,9-13,15H,3-4,7-8H2,1H3,(H,22,27)(H2,23,24,25,26);6-8H,2-5H2,1H3,(H,14,17)(H,15,16);1-6H,(H2,10,11)
InChIKeyMBVRZIFUTUBWNY-UHFFFAOYSA-N
MW759.36 g/mol
LogP8.35
Rot. Bonds8

About 6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine

6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine (PubChem CID 159521420) has the molecular formula C42H47ClN10O2 and a molecular weight of 759.36 g/mol. Its IUPAC name is 6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine
PubChem CID159521420
Molecular FormulaC42H47ClN10O2
Molecular Weight759.36 g/mol
Exact Mass758.36
IUPAC Name6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine
SMILESCNC(=O)c1cnc(Cl)cc1NC1CCCC1.CNC(=O)c1cnc(Nc2ccc3ccccc3n2)cc1NC1CCCC1.Nc1ccc2ccccc2n1
InChIInChI=1S/C21H23N5O.C12H16ClN3O.C9H8N2/c1-22-21(27)16-13-23-20(12-18(16)24-15-7-3-4-8-15)26-19-11-10-14-6-2-5-9-17(14)25-19;1-14-12(17)9-7-15-11(13)6-10(9)16-8-4-2-3-5-8;10-9-6-5-7-3-1-2-4-8(7)11-9/h2,5-6,9-13,15H,3-4,7-8H2,1H3,(H,22,27)(H2,23,24,25,26);6-8H,2-5H2,1H3,(H,14,17)(H,15,16);1-6H,(H2,10,11)
InChIKeyMBVRZIFUTUBWNY-UHFFFAOYSA-N
XLogP8.35
TPSA171.87 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500759.36
LogP ≤ 58.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine?
The IUPAC name of 6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine (CID 159521420) is 6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine.
What is the SMILES notation for 6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine?
The canonical SMILES for 6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine is CNC(=O)c1cnc(Cl)cc1NC1CCCC1.CNC(=O)c1cnc(Nc2ccc3ccccc3n2)cc1NC1CCCC1.Nc1ccc2ccccc2n1.
What is the InChIKey of 6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine?
The InChIKey is MBVRZIFUTUBWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C12H16ClN3O.C9H8N2/c1-22-21(27)16-13-23-20(12-18(16)24-15-7-3-4-8-15)26-19-11-10-14-6-2-5-9-17(14)25-19;1-14-12(17)9-7-15-11(13)6-10(9)16-8-4-2-3-5-8;10-9-6-5-7-3-1-2-4-8(7)11-9/h2,5-6,9-13,15H,3-4,7-8H2,1H3,(H,22,27)(H2,23,24,25,26);6-8H,2-5H2,1H3,(H,14,17)(H,15,16);1-6H,(H2,10,11).
What are the key properties of 6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine?
6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine has a molecular weight of 759.36 g/mol, XLogP of 8.35, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide;4-(cyclopentylamino)-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine is sourced from PubChem (CID 159521420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).