4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide

C16H28N4O — CID 63764911

IUPAC4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide
SMILESCCCCN(CCN)c1ccnc(C(=O)N(CC)CC)c1
InChIInChI=1S/C16H28N4O/c1-4-7-11-20(12-9-17)14-8-10-18-15(13-14)16(21)19(5-2)6-3/h8,10,13H,4-7,9,11-12,17H2,1-3H3
InChIKeyYIDIVIIIOGDNPO-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.13
Rot. Bonds9

About 4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide

4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide (PubChem CID 63764911) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide
PubChem CID63764911
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide
SMILESCCCCN(CCN)c1ccnc(C(=O)N(CC)CC)c1
InChIInChI=1S/C16H28N4O/c1-4-7-11-20(12-9-17)14-8-10-18-15(13-14)16(21)19(5-2)6-3/h8,10,13H,4-7,9,11-12,17H2,1-3H3
InChIKeyYIDIVIIIOGDNPO-UHFFFAOYSA-N
XLogP2.13
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-aminoethyl(ethyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63765883
4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 54948033
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
CID 61447985
2-(aminomethyl)-N,N-dibutylpyridin-4-amine
CID 62300849
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62160207
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501
methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate
CID 62005961

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide (CID 63764911) is 4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide is CCCCN(CCN)c1ccnc(C(=O)N(CC)CC)c1.
What is the InChIKey of 4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is YIDIVIIIOGDNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-11-20(12-9-17)14-8-10-18-15(13-14)16(21)19(5-2)6-3/h8,10,13H,4-7,9,11-12,17H2,1-3H3.
What are the key properties of 4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide?
4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 63764911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).