N-(2-chloro-4-pyridinyl)heptanamide

C12H17ClN2O — CID 15790514

IUPACN-(2-chloro-4-pyridinyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-2-3-4-5-6-12(16)15-10-7-8-14-11(13)9-10/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyCOOWBXLRQRSZRF-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.64
Rot. Bonds6

About N-(2-chloro-4-pyridinyl)heptanamide

N-(2-chloro-4-pyridinyl)heptanamide (PubChem CID 15790514) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)heptanamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)heptanamide
PubChem CID15790514
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(2-chloro-4-pyridinyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-2-3-4-5-6-12(16)15-10-7-8-14-11(13)9-10/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyCOOWBXLRQRSZRF-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-chloro-4-pyridinyl)pentanamide
CID 107910446
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(4-bromo-3-chlorophenyl)decanamide
CID 107620607
N-(3-iodophenyl)octanamide
CID 55026619
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
CID 103606840
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-pyrimidin-4-yltetradecanamide
CID 54258014

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)heptanamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)heptanamide (CID 15790514) is N-(2-chloro-4-pyridinyl)heptanamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)heptanamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)heptanamide is CCCCCCC(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)heptanamide?
The InChIKey is COOWBXLRQRSZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-3-4-5-6-12(16)15-10-7-8-14-11(13)9-10/h7-9H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(2-chloro-4-pyridinyl)heptanamide?
N-(2-chloro-4-pyridinyl)heptanamide has a molecular weight of 240.73 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)heptanamide is sourced from PubChem (CID 15790514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).