2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide

C16H26N4O — CID 60868730

IUPAC2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(N(CCCN)C2CCCC2)n1
InChIInChI=1S/C16H26N4O/c1-11-10-12(2)19-16(14(11)15(18)21)20(9-5-8-17)13-6-3-4-7-13/h10,13H,3-9,17H2,1-2H3,(H2,18,21)
InChIKeyOIYSOMADDXDWCD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.90
Rot. Bonds6

About 2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide

2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide (PubChem CID 60868730) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide
PubChem CID60868730
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(N(CCCN)C2CCCC2)n1
InChIInChI=1S/C16H26N4O/c1-11-10-12(2)19-16(14(11)15(18)21)20(9-5-8-17)13-6-3-4-7-13/h10,13H,3-9,17H2,1-2H3,(H2,18,21)
InChIKeyOIYSOMADDXDWCD-UHFFFAOYSA-N
XLogP1.90
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide (CID 60868730) is 2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(N(CCCN)C2CCCC2)n1.
What is the InChIKey of 2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is OIYSOMADDXDWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-10-12(2)19-16(14(11)15(18)21)20(9-5-8-17)13-6-3-4-7-13/h10,13H,3-9,17H2,1-2H3,(H2,18,21).
What are the key properties of 2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide?
2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 60868730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).