6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide

C12H18N4O — CID 114759134

IUPAC6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide
SMILESNCCC1(CNc2ccc(C(N)=O)cn2)CC1
InChIInChI=1S/C12H18N4O/c13-6-5-12(3-4-12)8-16-10-2-1-9(7-15-10)11(14)17/h1-2,7H,3-6,8,13H2,(H2,14,17)(H,15,16)
InChIKeyLHVMJIOMSSNPGB-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds6

About 6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide

6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide (PubChem CID 114759134) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide
PubChem CID114759134
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide
SMILESNCCC1(CNc2ccc(C(N)=O)cn2)CC1
InChIInChI=1S/C12H18N4O/c13-6-5-12(3-4-12)8-16-10-2-1-9(7-15-10)11(14)17/h1-2,7H,3-6,8,13H2,(H2,14,17)(H,15,16)
InChIKeyLHVMJIOMSSNPGB-UHFFFAOYSA-N
XLogP0.72
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridine-3-carboxamide
CID 115366055
6-[(1-ethylcyclopropyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103736737
N-ethyl-6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carboxamide
CID 133338368
6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103794664
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441131
6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
2-[1-[[(5-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755814
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 114759127
6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 113256808
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide (CID 114759134) is 6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide is NCCC1(CNc2ccc(C(N)=O)cn2)CC1.
What is the InChIKey of 6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide?
The InChIKey is LHVMJIOMSSNPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-6-5-12(3-4-12)8-16-10-2-1-9(7-15-10)11(14)17/h1-2,7H,3-6,8,13H2,(H2,14,17)(H,15,16).
What are the key properties of 6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide?
6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 114759134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).