4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide

C14H24N4O — CID 63761416

IUPAC4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCCC(CC)N(CCN)c1ccnc(C(=O)NC)c1
InChIInChI=1S/C14H24N4O/c1-4-11(5-2)18(9-7-15)12-6-8-17-13(10-12)14(19)16-3/h6,8,10-11H,4-5,7,9,15H2,1-3H3,(H,16,19)
InChIKeyJZZIYYHAWZOAIJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.39
Rot. Bonds7

About 4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide

4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 63761416) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide
PubChem CID63761416
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCCC(CC)N(CCN)c1ccnc(C(=O)NC)c1
InChIInChI=1S/C14H24N4O/c1-4-11(5-2)18(9-7-15)12-6-8-17-13(10-12)14(19)16-3/h6,8,10-11H,4-5,7,9,15H2,1-3H3,(H,16,19)
InChIKeyJZZIYYHAWZOAIJ-UHFFFAOYSA-N
XLogP1.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 43517704
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334
2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
CID 60828541
4-[3-aminopropyl(propan-2-yl)amino]-N-ethylpyridine-2-carboxamide
CID 43517813
4-[(3-amino-3-iminopropyl)-propan-2-ylamino]-N-methylpyridine-2-carboxamide
CID 54996820
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
CID 61447985
4-[(4-aminocyclohexyl)-methylamino]-N-methylpyridine-2-carboxamide
CID 79116085
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 60829186
4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
CID 60839856

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide (CID 63761416) is 4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide is CCC(CC)N(CCN)c1ccnc(C(=O)NC)c1.
What is the InChIKey of 4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is JZZIYYHAWZOAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-11(5-2)18(9-7-15)12-6-8-17-13(10-12)14(19)16-3/h6,8,10-11H,4-5,7,9,15H2,1-3H3,(H,16,19).
What are the key properties of 4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide?
4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63761416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).