2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide

C15H15ClN2O — CID 31870056

IUPAC2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
SMILESCCCc1ccccc1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-2-5-11-6-3-4-7-13(11)18-15(19)12-8-9-17-14(16)10-12/h3-4,6-10H,2,5H2,1H3,(H,18,19)
InChIKeyOBCMGTDNNDOIOO-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.94
Rot. Bonds4

About 2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide

2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide (PubChem CID 31870056) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
PubChem CID31870056
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
SMILESCCCc1ccccc1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-2-5-11-6-3-4-7-13(11)18-15(19)12-8-9-17-14(16)10-12/h3-4,6-10H,2,5H2,1H3,(H,18,19)
InChIKeyOBCMGTDNNDOIOO-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
3-amino-4-chloro-N-(2-propylphenyl)benzamide
CID 43703947
4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
2-(ethylamino)-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 62165184
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
N-(2-propylphenyl)-3-sulfanylbenzamide
CID 107025770
N-(2-ethylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294713
2-chloro-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 30888506
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
2-N-(2-ethylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090820
3,4,5-trifluoro-N-(2-propylphenyl)benzamide
CID 63188626
3,5-diacetamido-N-(2-propylphenyl)benzamide
CID 31869884

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide (CID 31870056) is 2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide is CCCc1ccccc1NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide?
The InChIKey is OBCMGTDNNDOIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-2-5-11-6-3-4-7-13(11)18-15(19)12-8-9-17-14(16)10-12/h3-4,6-10H,2,5H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide?
2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 31870056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).