N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide

C12H16ClN3O — CID 116651594

IUPACN-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)cn1)C(CN)C1CC1
InChIInChI=1S/C12H16ClN3O/c1-16(11(6-14)8-2-3-8)12(17)10-5-4-9(13)7-15-10/h4-5,7-8,11H,2-3,6,14H2,1H3
InChIKeyNRPVOLAIXAVJQX-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.54
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide (PubChem CID 116651594) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide
PubChem CID116651594
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)cn1)C(CN)C1CC1
InChIInChI=1S/C12H16ClN3O/c1-16(11(6-14)8-2-3-8)12(17)10-5-4-9(13)7-15-10/h4-5,7-8,11H,2-3,6,14H2,1H3
InChIKeyNRPVOLAIXAVJQX-UHFFFAOYSA-N
XLogP1.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide
CID 114030464
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
N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide
CID 116652070
5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 126994087
N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide
CID 116652008
N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide
CID 79115416
N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 116651942
N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide
CID 116651955
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 116652032
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736
N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide
CID 116651974

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide (CID 116651594) is N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(Cl)cn1)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide?
The InChIKey is NRPVOLAIXAVJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-16(11(6-14)8-2-3-8)12(17)10-5-4-9(13)7-15-10/h4-5,7-8,11H,2-3,6,14H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.54, 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)-5-chloro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 116651594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).