5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide

C15H14ClN3O3 — CID 99840640

IUPAC5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14ClN3O3/c1-2-8-18(12-4-3-5-13(9-12)19(21)22)15(20)14-7-6-11(16)10-17-14/h3-7,9-10H,2,8H2,1H3
InChIKeyCGHMTTOSVDZZMC-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.70
Rot. Bonds5

About 5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide

5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide (PubChem CID 99840640) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide
PubChem CID99840640
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14ClN3O3/c1-2-8-18(12-4-3-5-13(9-12)19(21)22)15(20)14-7-6-11(16)10-17-14/h3-7,9-10H,2,8H2,1H3
InChIKeyCGHMTTOSVDZZMC-UHFFFAOYSA-N
XLogP3.70
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide
CID 167820065
3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide
CID 99840653
N-ethyl-N-(3-nitrophenyl)acetamide
CID 3338972
N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide
CID 63723674
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 126994087
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-5-chloro-2-methyl-N-propylbenzamide
CID 82877888
N,N-dibutyl-3-nitroaniline;hydrochloride
CID 163332973
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
2-(N-benzoyl-3-nitroanilino)acetic acid
CID 14484971

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide (CID 99840640) is 5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide is CCCN(C(=O)c1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide?
The InChIKey is CGHMTTOSVDZZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-2-8-18(12-4-3-5-13(9-12)19(21)22)15(20)14-7-6-11(16)10-17-14/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide?
5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide has a molecular weight of 319.75 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 99840640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).