N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide

C17H29N3O — CID 106027806

IUPACN-octan-4-yl-6-(propylamino)pyridine-2-carboxamide
SMILESCCCCC(CCC)NC(=O)c1cccc(NCCC)n1
InChIInChI=1S/C17H29N3O/c1-4-7-10-14(9-5-2)19-17(21)15-11-8-12-16(20-15)18-13-6-3/h8,11-12,14H,4-7,9-10,13H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGPRYENDKVOKZBC-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.99
Rot. Bonds10

About N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide

N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide (PubChem CID 106027806) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-octan-4-yl-6-(propylamino)pyridine-2-carboxamide
PubChem CID106027806
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-octan-4-yl-6-(propylamino)pyridine-2-carboxamide
SMILESCCCCC(CCC)NC(=O)c1cccc(NCCC)n1
InChIInChI=1S/C17H29N3O/c1-4-7-10-14(9-5-2)19-17(21)15-11-8-12-16(20-15)18-13-6-3/h8,11-12,14H,4-7,9-10,13H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGPRYENDKVOKZBC-UHFFFAOYSA-N
XLogP3.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide
CID 106027845
N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 63499181
N-butan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62241135
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 55052478
N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 102907982
6-(ethylamino)-N-octan-4-ylpyridazine-3-carboxamide
CID 106027867
N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide
CID 106027974
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide
CID 102508949
1-[6-(pentylamino)-2-pyridinyl]ethanone
CID 68551808
N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 63499138

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide (CID 106027806) is N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide is CCCCC(CCC)NC(=O)c1cccc(NCCC)n1.
What is the InChIKey of N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is GPRYENDKVOKZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-7-10-14(9-5-2)19-17(21)15-11-8-12-16(20-15)18-13-6-3/h8,11-12,14H,4-7,9-10,13H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide?
N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 106027806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).