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

C18H21N3O2 — CID 109165237

IUPAC2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccnc(NC3CC3)c2)c1
InChIInChI=1S/C18H21N3O2/c1-23-16-4-2-3-13(11-16)7-9-20-18(22)14-8-10-19-17(12-14)21-15-5-6-15/h2-4,8,10-12,15H,5-7,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyGNYLPDRGVQNREK-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.64
Rot. Bonds7

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

2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109165237) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID109165237
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccnc(NC3CC3)c2)c1
InChIInChI=1S/C18H21N3O2/c1-23-16-4-2-3-13(11-16)7-9-20-18(22)14-8-10-19-17(12-14)21-15-5-6-15/h2-4,8,10-12,15H,5-7,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyGNYLPDRGVQNREK-UHFFFAOYSA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514
2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165037
N-[2-(3-methoxyphenyl)ethyl]-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170133
N-[2-(3-chlorophenyl)ethyl]-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166354
4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204211
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081831
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
6-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158925
2-(cycloheptylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172729
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109088154

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 109165237) is 2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1cccc(CCNC(=O)c2ccnc(NC3CC3)c2)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is GNYLPDRGVQNREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-4-2-3-13(11-16)7-9-20-18(22)14-8-10-19-17(12-14)21-15-5-6-15/h2-4,8,10-12,15H,5-7,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109165237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).