N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide

C16H15ClN2O — CID 50981292

IUPACN-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(Cc1ccccc1Cl)C(=O)c1cccnc1
InChIInChI=1S/C16H15ClN2O/c1-2-10-19(12-14-6-3-4-8-15(14)17)16(20)13-7-5-9-18-11-13/h2-9,11H,1,10,12H2
InChIKeyDDVPIULMPLLSHX-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.56
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 50981292) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID50981292
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(Cc1ccccc1Cl)C(=O)c1cccnc1
InChIInChI=1S/C16H15ClN2O/c1-2-10-19(12-14-6-3-4-8-15(14)17)16(20)13-7-5-9-18-11-13/h2-9,11H,1,10,12H2
InChIKeyDDVPIULMPLLSHX-UHFFFAOYSA-N
XLogP3.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108897654
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide
CID 46996005
1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
CID 692924
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide
CID 154454654
1-benzyl-1-prop-2-enyl-3-(2-pyridin-3-ylethyl)urea
CID 87003527
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110705421
3-[bis(prop-2-enyl)amino]-1-pyridin-3-ylprop-2-en-1-one
CID 68572096
2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid
CID 79262056
3-[(2-chlorophenyl)methyl-prop-2-enylamino]propanoic acid
CID 82328005
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
3-chloro-N-(2-phenylsulfanylethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 46995513

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide (CID 50981292) is N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide is C=CCN(Cc1ccccc1Cl)C(=O)c1cccnc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is DDVPIULMPLLSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-2-10-19(12-14-6-3-4-8-15(14)17)16(20)13-7-5-9-18-11-13/h2-9,11H,1,10,12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 50981292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).