4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

C14H14ClN3O — CID 61051888

IUPAC4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H14ClN3O/c1-18(9-5-11-2-6-16-7-3-11)14(19)13-10-12(15)4-8-17-13/h2-4,6-8,10H,5,9H2,1H3
InChIKeyLSRAVMOBWNKLMR-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.44
Rot. Bonds4

About 4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 61051888) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID61051888
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H14ClN3O/c1-18(9-5-11-2-6-16-7-3-11)14(19)13-10-12(15)4-8-17-13/h2-4,6-8,10H,5,9H2,1H3
InChIKeyLSRAVMOBWNKLMR-UHFFFAOYSA-N
XLogP2.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide
CID 60793876
4-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214653
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
2-N-(3-chlorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098702
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689492
2-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309038
4-N-[(4-fluorophenyl)methyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109086492
N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109210768
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 61051888) is 4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is CN(CCc1ccncc1)C(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is LSRAVMOBWNKLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18(9-5-11-2-6-16-7-3-11)14(19)13-10-12(15)4-8-17-13/h2-4,6-8,10H,5,9H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 61051888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).