N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C21H22N4O — CID 109235374

IUPACN-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cncc(NCc2cccnc2)c1
InChIInChI=1S/C21H22N4O/c26-21(24-11-5-8-17-6-2-1-3-7-17)19-12-20(16-23-15-19)25-14-18-9-4-10-22-13-18/h1-4,6-7,9-10,12-13,15-16,25H,5,8,11,14H2,(H,24,26)
InChIKeyLTRXCGSQORFBMJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.45
Rot. Bonds8

About N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235374) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235374
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cncc(NCc2cccnc2)c1
InChIInChI=1S/C21H22N4O/c26-21(24-11-5-8-17-6-2-1-3-7-17)19-12-20(16-23-15-19)25-14-18-9-4-10-22-13-18/h1-4,6-7,9-10,12-13,15-16,25H,5,8,11,14H2,(H,24,26)
InChIKeyLTRXCGSQORFBMJ-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

1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109239035
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109236652
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109233806
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335
5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109224955
methyl 4-[[5-(3-phenylpropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109239067
N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235401
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239083
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 109235374) is N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is O=C(NCCCc1ccccc1)c1cncc(NCc2cccnc2)c1.
What is the InChIKey of N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is LTRXCGSQORFBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(24-11-5-8-17-6-2-1-3-7-17)19-12-20(16-23-15-19)25-14-18-9-4-10-22-13-18/h1-4,6-7,9-10,12-13,15-16,25H,5,8,11,14H2,(H,24,26).
What are the key properties of N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-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 N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).