4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

C20H25N3O2 — CID 109204211

IUPAC4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(NC3CCCC3)ccn2)c1
InChIInChI=1S/C20H25N3O2/c1-25-18-8-4-5-15(13-18)9-11-22-20(24)19-14-17(10-12-21-19)23-16-6-2-3-7-16/h4-5,8,10,12-14,16H,2-3,6-7,9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyKVMLEKZMLQBUQH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.42
Rot. Bonds7

About 4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109204211) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109204211
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(NC3CCCC3)ccn2)c1
InChIInChI=1S/C20H25N3O2/c1-25-18-8-4-5-15(13-18)9-11-22-20(24)19-14-17(10-12-21-19)23-16-6-2-3-7-16/h4-5,8,10,12-14,16H,2-3,6-7,9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyKVMLEKZMLQBUQH-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

4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933
N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214453
4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214408
4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109165237
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081685
4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214438
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-butyl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109202468

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109204211) is 4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1cccc(CCNC(=O)c2cc(NC3CCCC3)ccn2)c1.
What is the InChIKey of 4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is KVMLEKZMLQBUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-18-8-4-5-15(13-18)9-11-22-20(24)19-14-17(10-12-21-19)23-16-6-2-3-7-16/h4-5,8,10,12-14,16H,2-3,6-7,9,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]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 4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109204211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).