N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide

C12H17N3O — CID 115456878

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC2(CN)CC2)n1
InChIInChI=1S/C12H17N3O/c1-9-3-2-4-10(15-9)11(16)14-8-12(7-13)5-6-12/h2-4H,5-8,13H2,1H3,(H,14,16)
InChIKeyFEEPCZOQVWDMHB-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.86
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide (PubChem CID 115456878) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide
PubChem CID115456878
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC2(CN)CC2)n1
InChIInChI=1S/C12H17N3O/c1-9-3-2-4-10(15-9)11(16)14-8-12(7-13)5-6-12/h2-4H,5-8,13H2,1H3,(H,14,16)
InChIKeyFEEPCZOQVWDMHB-UHFFFAOYSA-N
XLogP0.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 119404313
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 65118974
6-amino-N-[(1-ethylcyclopropyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 119999117
6-methyl-N-[(1-pyridin-3-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 110483045
6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 136518357
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
CID 66089048
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide
CID 115456719
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 113342974

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide (CID 115456878) is N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCC2(CN)CC2)n1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is FEEPCZOQVWDMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-3-2-4-10(15-9)11(16)14-8-12(7-13)5-6-12/h2-4H,5-8,13H2,1H3,(H,14,16).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 115456878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).