N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide

C17H29N3O — CID 63499181

IUPACN-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NC(C)CCCC(C)C)n1
InChIInChI=1S/C17H29N3O/c1-5-12-18-16-11-7-10-15(20-16)17(21)19-14(4)9-6-8-13(2)3/h7,10-11,13-14H,5-6,8-9,12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyLEZLXROTFCSTLU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.85
Rot. Bonds9

About N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide

N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 63499181) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID63499181
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NC(C)CCCC(C)C)n1
InChIInChI=1S/C17H29N3O/c1-5-12-18-16-11-7-10-15(20-16)17(21)19-14(4)9-6-8-13(2)3/h7,10-11,13-14H,5-6,8-9,12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyLEZLXROTFCSTLU-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62241135
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide
CID 106027806
N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 102907982
N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide
CID 82949517
6-(ethylamino)-N-(4-methoxybutan-2-yl)pyridine-2-carboxamide
CID 64604327
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 55052478
N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62238841
N-(4-propan-2-yl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62239162
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide (CID 63499181) is N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)NC(C)CCCC(C)C)n1.
What is the InChIKey of N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is LEZLXROTFCSTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-12-18-16-11-7-10-15(20-16)17(21)19-14(4)9-6-8-13(2)3/h7,10-11,13-14H,5-6,8-9,12H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63499181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).