4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide

C12H18N4O — CID 66006288

IUPAC4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCC2CC(N)C2)ccn1
InChIInChI=1S/C12H18N4O/c1-14-12(17)11-6-10(2-3-15-11)16-7-8-4-9(13)5-8/h2-3,6,8-9H,4-5,7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyLKJQFEQPQRENCJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.59
Rot. Bonds4

About 4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide

4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide (PubChem CID 66006288) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide
PubChem CID66006288
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCC2CC(N)C2)ccn1
InChIInChI=1S/C12H18N4O/c1-14-12(17)11-6-10(2-3-15-11)16-7-8-4-9(13)5-8/h2-3,6,8-9H,4-5,7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyLKJQFEQPQRENCJ-UHFFFAOYSA-N
XLogP0.59
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide
CID 106129174
4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526015
N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
CID 66004621
4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide
CID 43599645
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
4-(3-cyclopentylpropylamino)-N-methylpyridine-2-carboxamide
CID 106012735
4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 113283242
4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 60874908
4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 114149238
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
N-methyl-4-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxamide
CID 114516067
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylpyridine-2-carboxamide
CID 114400602

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide (CID 66006288) is 4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NCC2CC(N)C2)ccn1.
What is the InChIKey of 4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is LKJQFEQPQRENCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-14-12(17)11-6-10(2-3-15-11)16-7-8-4-9(13)5-8/h2-3,6,8-9H,4-5,7,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide?
4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 66006288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).