4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide

C13H22N4O — CID 81051498

IUPAC4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide
SMILESCCCC(CN)Nc1cc(C)nc(C)c1C(N)=O
InChIInChI=1S/C13H22N4O/c1-4-5-10(7-14)17-11-6-8(2)16-9(3)12(11)13(15)18/h6,10H,4-5,7,14H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyFLBVSFWHEHOZPQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.34
Rot. Bonds6

About 4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide

4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 81051498) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide
PubChem CID81051498
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide
SMILESCCCC(CN)Nc1cc(C)nc(C)c1C(N)=O
InChIInChI=1S/C13H22N4O/c1-4-5-10(7-14)17-11-6-8(2)16-9(3)12(11)13(15)18/h6,10H,4-5,7,14H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyFLBVSFWHEHOZPQ-UHFFFAOYSA-N
XLogP1.34
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide (CID 81051498) is 4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide is CCCC(CN)Nc1cc(C)nc(C)c1C(N)=O.
What is the InChIKey of 4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is FLBVSFWHEHOZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-10(7-14)17-11-6-8(2)16-9(3)12(11)13(15)18/h6,10H,4-5,7,14H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide?
4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81051498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).