N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide

C13H19N3O — CID 116652008

IUPACN-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)N(C)C(CN)C2CC2)c1
InChIInChI=1S/C13H19N3O/c1-9-5-11(8-15-7-9)13(17)16(2)12(6-14)10-3-4-10/h5,7-8,10,12H,3-4,6,14H2,1-2H3
InChIKeyWJCACOWZRDLZOP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.20
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide (PubChem CID 116652008) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide
PubChem CID116652008
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)N(C)C(CN)C2CC2)c1
InChIInChI=1S/C13H19N3O/c1-9-5-11(8-15-7-9)13(17)16(2)12(6-14)10-3-4-10/h5,7-8,10,12H,3-4,6,14H2,1-2H3
InChIKeyWJCACOWZRDLZOP-UHFFFAOYSA-N
XLogP1.20
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 116651907
N-(1-bromopropan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 104556158
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 114039801
N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide
CID 116651594
N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrothiophene-3-carboxamide
CID 116651976
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 116652032
N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide
CID 116651780
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 77072544
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
CID 115374008
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
CID 116651988
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
CID 116651837

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide (CID 116652008) is N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide is Cc1cncc(C(=O)N(C)C(CN)C2CC2)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide?
The InChIKey is WJCACOWZRDLZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-5-11(8-15-7-9)13(17)16(2)12(6-14)10-3-4-10/h5,7-8,10,12H,3-4,6,14H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 116652008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).