3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide

C15H23ClN2O — CID 66481997

IUPAC3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
SMILESCC(C)CCCCCCNC(=O)c1ccncc1Cl
InChIInChI=1S/C15H23ClN2O/c1-12(2)7-5-3-4-6-9-18-15(19)13-8-10-17-11-14(13)16/h8,10-12H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyPXOQPYZOLCEZHY-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.07
Rot. Bonds8

About 3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide

3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide (PubChem CID 66481997) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
PubChem CID66481997
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
SMILESCC(C)CCCCCCNC(=O)c1ccncc1Cl
InChIInChI=1S/C15H23ClN2O/c1-12(2)7-5-3-4-6-9-18-15(19)13-8-10-17-11-14(13)16/h8,10-12H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyPXOQPYZOLCEZHY-UHFFFAOYSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-hydrazinyl-N-(4-methylpentyl)pyridine-4-carboxamide
CID 105072134
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817983
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide (CID 66481997) is 3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide is CC(C)CCCCCCNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide?
The InChIKey is PXOQPYZOLCEZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12(2)7-5-3-4-6-9-18-15(19)13-8-10-17-11-14(13)16/h8,10-12H,3-7,9H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide?
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide has a molecular weight of 282.81 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide is sourced from PubChem (CID 66481997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).