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

C20H27N3O2 — CID 109214267

IUPACN-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccnc(C(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C20H27N3O2/c1-3-4-7-12-21-17-11-14-22-18(15-17)20(24)23-13-10-16-8-5-6-9-19(16)25-2/h5-6,8-9,11,14-15H,3-4,7,10,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyBYXMGODJBILDKR-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.66
Rot. Bonds10

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

N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide (PubChem CID 109214267) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
PubChem CID109214267
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccnc(C(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C20H27N3O2/c1-3-4-7-12-21-17-11-14-22-18(15-17)20(24)23-13-10-16-8-5-6-9-19(16)25-2/h5-6,8-9,11,14-15H,3-4,7,10,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyBYXMGODJBILDKR-UHFFFAOYSA-N
XLogP3.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.66
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-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
4-(2-ethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214285
4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212673
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
4-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214302
4-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214268
4-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 106262005
N-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214357
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330967

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide (CID 109214267) is N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccnc(C(=O)NCCc2ccccc2OC)c1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide?
The InChIKey is BYXMGODJBILDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-7-12-21-17-11-14-22-18(15-17)20(24)23-13-10-16-8-5-6-9-19(16)25-2/h5-6,8-9,11,14-15H,3-4,7,10,12-13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109214267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).