4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide

C12H15ClN2O — CID 60746396

IUPAC4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCN(C(=O)c1cc(Cl)ccn1)C(C)C
InChIInChI=1S/C12H15ClN2O/c1-4-7-15(9(2)3)12(16)11-8-10(13)5-6-14-11/h4-6,8-9H,1,7H2,2-3H3
InChIKeyMKKGNIRRSGPQHY-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.77
Rot. Bonds4

About 4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide

4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 60746396) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide
PubChem CID60746396
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCN(C(=O)c1cc(Cl)ccn1)C(C)C
InChIInChI=1S/C12H15ClN2O/c1-4-7-15(9(2)3)12(16)11-8-10(13)5-6-14-11/h4-6,8-9H,1,7H2,2-3H3
InChIKeyMKKGNIRRSGPQHY-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.77
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

4-chloro-N-(cyanomethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 103758603
2-[bis(prop-2-enyl)amino]-1-(4-chloro-2-pyridinyl)ethanone
CID 118367954
3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369864
tert-butyl N-[2-(4-chloro-2-pyridinyl)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 118367981
4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 61053221
4-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 43420571
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
CID 113322275
2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055270
N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 63048898
4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965080
4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide
CID 113221979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide (CID 60746396) is 4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide is C=CCN(C(=O)c1cc(Cl)ccn1)C(C)C.
What is the InChIKey of 4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is MKKGNIRRSGPQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-4-7-15(9(2)3)12(16)11-8-10(13)5-6-14-11/h4-6,8-9H,1,7H2,2-3H3.
What are the key properties of 4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide?
4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 60746396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).