4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide

C13H22N4O — CID 43517704

IUPAC4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N(CCCN)C(C)C)ccn1
InChIInChI=1S/C13H22N4O/c1-10(2)17(8-4-6-14)11-5-7-16-12(9-11)13(18)15-3/h5,7,9-10H,4,6,8,14H2,1-3H3,(H,15,18)
InChIKeyOLPMFQWJWMLPPR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.00
Rot. Bonds6

About 4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide

4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 43517704) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
PubChem CID43517704
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N(CCCN)C(C)C)ccn1
InChIInChI=1S/C13H22N4O/c1-10(2)17(8-4-6-14)11-5-7-16-12(9-11)13(18)15-3/h5,7,9-10H,4,6,8,14H2,1-3H3,(H,15,18)
InChIKeyOLPMFQWJWMLPPR-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334
4-[3-aminopropyl(propan-2-yl)amino]-N-ethylpyridine-2-carboxamide
CID 43517813
2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
CID 60828541
4-[(3-amino-3-iminopropyl)-propan-2-ylamino]-N-methylpyridine-2-carboxamide
CID 54996820
4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 63761416
N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 112710088
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
CID 60839856
4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 61147660
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
CID 61447985
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide (CID 43517704) is 4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(N(CCCN)C(C)C)ccn1.
What is the InChIKey of 4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is OLPMFQWJWMLPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)17(8-4-6-14)11-5-7-16-12(9-11)13(18)15-3/h5,7,9-10H,4,6,8,14H2,1-3H3,(H,15,18).
What are the key properties of 4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide?
4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 43517704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).