4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide

C13H20N4O — CID 103353986

IUPAC4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(NCC2(N)CCC2)c(C(N)=O)c(C)n1
InChIInChI=1S/C13H20N4O/c1-8-6-10(11(12(14)18)9(2)17-8)16-7-13(15)4-3-5-13/h6H,3-5,7,15H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyNQCATQCRWZJALB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.09
Rot. Bonds4

About 4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide

4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 103353986) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide
PubChem CID103353986
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(NCC2(N)CCC2)c(C(N)=O)c(C)n1
InChIInChI=1S/C13H20N4O/c1-8-6-10(11(12(14)18)9(2)17-8)16-7-13(15)4-3-5-13/h6H,3-5,7,15H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyNQCATQCRWZJALB-UHFFFAOYSA-N
XLogP1.09
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide
CID 81051566
4-[(2-amino-2-ethylbutyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 115306287
2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 115430208
3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 81050962
4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114102024
4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-3-methylbutanoic acid
CID 81065938
4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
CID 81035906
2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 107425347
2,6-dimethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carboxamide
CID 107488661
2,6-dimethyl-4-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxamide
CID 81036507
4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 107164131
6-[(1-aminocyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103354254

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide (CID 103353986) is 4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide is Cc1cc(NCC2(N)CCC2)c(C(N)=O)c(C)n1.
What is the InChIKey of 4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is NQCATQCRWZJALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-6-10(11(12(14)18)9(2)17-8)16-7-13(15)4-3-5-13/h6H,3-5,7,15H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide?
4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 103353986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).