2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

C21H22N4O — CID 109171827

IUPAC2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(NCCCc2ccccc2)c1
InChIInChI=1S/C21H22N4O/c26-21(25-16-18-9-4-11-22-15-18)19-10-13-24-20(14-19)23-12-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-11,13-15H,5,8,12,16H2,(H,23,24)(H,25,26)
InChIKeyMYIAYDATGILULP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.45
Rot. Bonds8

About 2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 109171827) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID109171827
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(NCCCc2ccccc2)c1
InChIInChI=1S/C21H22N4O/c26-21(25-16-18-9-4-11-22-15-18)19-10-13-24-20(14-19)23-12-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-11,13-15H,5,8,12,16H2,(H,23,24)(H,25,26)
InChIKeyMYIAYDATGILULP-UHFFFAOYSA-N
XLogP3.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.45
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-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171814
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109165425
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109168044
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109170654
N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171926
2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171882
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 109171827) is 2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cccnc1)c1ccnc(NCCCc2ccccc2)c1.
What is the InChIKey of 2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is MYIAYDATGILULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(25-16-18-9-4-11-22-15-18)19-10-13-24-20(14-19)23-12-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-11,13-15H,5,8,12,16H2,(H,23,24)(H,25,26).
What are the key properties of 2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).