N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide

C19H34N4O — CID 67288173

IUPACN-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(C)cc(NCCCC)nc1NCCCC
InChIInChI=1S/C19H34N4O/c1-5-8-11-20-16-14-15(4)17(19(24)22-13-10-7-3)18(23-16)21-12-9-6-2/h14H,5-13H2,1-4H3,(H,22,24)(H2,20,21,23)
InChIKeyWFMSZULNLFDHQO-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.34
Rot. Bonds12

About N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide

N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide (PubChem CID 67288173) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide
PubChem CID67288173
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC NameN-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(C)cc(NCCCC)nc1NCCCC
InChIInChI=1S/C19H34N4O/c1-5-8-11-20-16-14-15(4)17(19(24)22-13-10-7-3)18(23-16)21-12-9-6-2/h14H,5-13H2,1-4H3,(H,22,24)(H2,20,21,23)
InChIKeyWFMSZULNLFDHQO-UHFFFAOYSA-N
XLogP4.34
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719
4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide
CID 96666562
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide
CID 67374963
N-butyl-3,5-dimethylbenzamide
CID 17190927
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]butanoic acid
CID 122058445
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide?
The IUPAC name of N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide (CID 67288173) is N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide is CCCCNC(=O)c1c(C)cc(NCCCC)nc1NCCCC.
What is the InChIKey of N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide?
The InChIKey is WFMSZULNLFDHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-5-8-11-20-16-14-15(4)17(19(24)22-13-10-7-3)18(23-16)21-12-9-6-2/h14H,5-13H2,1-4H3,(H,22,24)(H2,20,21,23).
What are the key properties of N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide?
N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide has a molecular weight of 334.51 g/mol, XLogP of 4.34, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,6-bis(butylamino)-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 67288173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).