N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide

C16H14Cl2N2O — CID 154454654

IUPACN-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C16H14Cl2N2O/c17-14-5-1-3-12(15(14)18)10-20(13-6-7-13)16(21)11-4-2-8-19-9-11/h1-5,8-9,13H,6-7,10H2
InChIKeyKBJIZUALUJZOHW-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.19
Rot. Bonds4

About N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide

N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 154454654) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide
PubChem CID154454654
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC NameN-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C16H14Cl2N2O/c17-14-5-1-3-12(15(14)18)10-20(13-6-7-13)16(21)11-4-2-8-19-9-11/h1-5,8-9,13H,6-7,10H2
InChIKeyKBJIZUALUJZOHW-UHFFFAOYSA-N
XLogP4.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
CID 99795295
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683
N-(4-tert-butylcyclohexyl)-N-[(6-chloro-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 87720740
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 60738184
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838
N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 50981292
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 11555258
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
CID 141077569

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide (CID 154454654) is N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide is O=C(c1cccnc1)N(Cc1cccc(Cl)c1Cl)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is KBJIZUALUJZOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-14-5-1-3-12(15(14)18)10-20(13-6-7-13)16(21)11-4-2-8-19-9-11/h1-5,8-9,13H,6-7,10H2.
What are the key properties of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide?
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 321.21 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 154454654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).