6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide

C12H18N4O — CID 113283634

IUPAC6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide
SMILESCC(CN)(Nc1cccc(C(N)=O)n1)C1CC1
InChIInChI=1S/C12H18N4O/c1-12(7-13,8-5-6-8)16-10-4-2-3-9(15-10)11(14)17/h2-4,8H,5-7,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyUSTHTYNUQJHWHW-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds5

About 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide

6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide (PubChem CID 113283634) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide
PubChem CID113283634
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide
SMILESCC(CN)(Nc1cccc(C(N)=O)n1)C1CC1
InChIInChI=1S/C12H18N4O/c1-12(7-13,8-5-6-8)16-10-4-2-3-9(15-10)11(14)17/h2-4,8H,5-7,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyUSTHTYNUQJHWHW-UHFFFAOYSA-N
XLogP0.72
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 113283580
6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile
CID 115308042
4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 64589746
6-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 136527343
6-(2-aminopropylamino)pyridine-2-carboxamide
CID 64588003
6-[(2-amino-2-cyclopropylethyl)amino]pyridine-2-carboxamide
CID 115301548
6-[3-(ethylamino)propylamino]pyridine-2-carboxamide
CID 64587795
2-cyclopropyl-2-N-(5-methyl-2-pyridinyl)propane-1,2-diamine
CID 115308081
6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide
CID 173112160
6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide
CID 64590181
6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 97349074
2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide
CID 115308217

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide (CID 113283634) is 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide is CC(CN)(Nc1cccc(C(N)=O)n1)C1CC1.
What is the InChIKey of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide?
The InChIKey is USTHTYNUQJHWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(7-13,8-5-6-8)16-10-4-2-3-9(15-10)11(14)17/h2-4,8H,5-7,13H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide?
6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 113283634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).