N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide

C18H22ClN3O2 — CID 109240171

IUPACN-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)Nc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O2/c1-3-4-5-8-21-15-9-13(11-20-12-15)18(23)22-14-6-7-17(24-2)16(19)10-14/h6-7,9-12,21H,3-5,8H2,1-2H3,(H,22,23)
InChIKeyIWBPTSKKTSUNED-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.60
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide (PubChem CID 109240171) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
PubChem CID109240171
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)Nc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O2/c1-3-4-5-8-21-15-9-13(11-20-12-15)18(23)22-14-6-7-17(24-2)16(19)10-14/h6-7,9-12,21H,3-5,8H2,1-2H3,(H,22,23)
InChIKeyIWBPTSKKTSUNED-UHFFFAOYSA-N
XLogP4.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
N-(2,5-dimethoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240183
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109180935
N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234331
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109224665
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
N-(3-chloro-4-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229990
5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109240206
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109245025

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide (CID 109240171) is N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide is CCCCCNc1cncc(C(=O)Nc2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide?
The InChIKey is IWBPTSKKTSUNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-3-4-5-8-21-15-9-13(11-20-12-15)18(23)22-14-6-7-17(24-2)16(19)10-14/h6-7,9-12,21H,3-5,8H2,1-2H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109240171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).