N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide

C18H23N3O — CID 142242395

IUPACN-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
SMILESCCc1cccc(CNCCCNC(=O)c2cccnc2)c1
InChIInChI=1S/C18H23N3O/c1-2-15-6-3-7-16(12-15)13-19-10-5-11-21-18(22)17-8-4-9-20-14-17/h3-4,6-9,12,14,19H,2,5,10-11,13H2,1H3,(H,21,22)
InChIKeyKSGCPTUFOZRHKQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.55
Rot. Bonds8

About N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide

N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide (PubChem CID 142242395) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
PubChem CID142242395
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
SMILESCCc1cccc(CNCCCNC(=O)c2cccnc2)c1
InChIInChI=1S/C18H23N3O/c1-2-15-6-3-7-16(12-15)13-19-10-5-11-21-18(22)17-8-4-9-20-14-17/h3-4,6-9,12,14,19H,2,5,10-11,13H2,1H3,(H,21,22)
InChIKeyKSGCPTUFOZRHKQ-UHFFFAOYSA-N
XLogP2.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide
CID 142242535
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 3338118
2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide
CID 142205419
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912
N-[(3-iodophenyl)methyl]pyridine-3-carboxamide
CID 125490904

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide (CID 142242395) is N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide is CCc1cccc(CNCCCNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide?
The InChIKey is KSGCPTUFOZRHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-15-6-3-7-16(12-15)13-19-10-5-11-21-18(22)17-8-4-9-20-14-17/h3-4,6-9,12,14,19H,2,5,10-11,13H2,1H3,(H,21,22).
What are the key properties of N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide?
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 142242395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).