6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide

C13H22N4O — CID 114134948

IUPAC6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide
SMILESCCC(C)N(C)CCNC(=O)c1ccc(N)nc1
InChIInChI=1S/C13H22N4O/c1-4-10(2)17(3)8-7-15-13(18)11-5-6-12(14)16-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyZWHZFCQSZPCHAF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds6

About 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide

6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 114134948) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID114134948
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide
SMILESCCC(C)N(C)CCNC(=O)c1ccc(N)nc1
InChIInChI=1S/C13H22N4O/c1-4-10(2)17(3)8-7-15-13(18)11-5-6-12(14)16-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyZWHZFCQSZPCHAF-UHFFFAOYSA-N
XLogP1.12
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 114134937
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
CID 103814251
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 114133340
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
6-amino-N-[3-(ethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 113411051
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
CID 95167795
2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119946988
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide
CID 95167816
6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822634

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide (CID 114134948) is 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide is CCC(C)N(C)CCNC(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is ZWHZFCQSZPCHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-10(2)17(3)8-7-15-13(18)11-5-6-12(14)16-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide?
6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 114134948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).