N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide

C20H25N3O2 — CID 109204026

IUPACN-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccnc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-18-8-6-15(7-9-18)10-12-21-17-11-13-22-19(14-17)20(24)23-16-4-2-3-5-16/h6-9,11,13-14,16H,2-5,10,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyAUSPAXWBUNFING-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.42
Rot. Bonds7

About N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide

N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109204026) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109204026
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccnc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-18-8-6-15(7-9-18)10-12-21-17-11-13-22-19(14-17)20(24)23-16-4-2-3-5-16/h6-9,11,13-14,16H,2-5,10,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyAUSPAXWBUNFING-UHFFFAOYSA-N
XLogP3.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760
N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214453
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109204781
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109173025
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-cyclopentyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109225918

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide (CID 109204026) is N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide is COc1ccc(CCNc2ccnc(C(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is AUSPAXWBUNFING-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-18-8-6-15(7-9-18)10-12-21-17-11-13-22-19(14-17)20(24)23-16-4-2-3-5-16/h6-9,11,13-14,16H,2-5,10,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109204026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).