N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide

C19H25N3O — CID 109195842

IUPACN-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)N(CC)c2ccccc2)nc1
InChIInChI=1S/C19H25N3O/c1-3-5-9-14-20-16-12-13-18(21-15-16)19(23)22(4-2)17-10-7-6-8-11-17/h6-8,10-13,15,20H,3-5,9,14H2,1-2H3
InChIKeyGMYSWJXBFAOTKB-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.35
Rot. Bonds8

About N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide

N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide (PubChem CID 109195842) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide
PubChem CID109195842
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)N(CC)c2ccccc2)nc1
InChIInChI=1S/C19H25N3O/c1-3-5-9-14-20-16-12-13-18(21-15-16)19(23)22(4-2)17-10-7-6-8-11-17/h6-8,10-13,15,20H,3-5,9,14H2,1-2H3
InChIKeyGMYSWJXBFAOTKB-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
5-(pentylamino)-N,N-dipropylpyridine-2-carboxamide
CID 109195823
N-ethyl-N-phenyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189023
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198507
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109195372
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198518
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198506
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide (CID 109195842) is N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide is CCCCCNc1ccc(C(=O)N(CC)c2ccccc2)nc1.
What is the InChIKey of N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide?
The InChIKey is GMYSWJXBFAOTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-5-9-14-20-16-12-13-18(21-15-16)19(23)22(4-2)17-10-7-6-8-11-17/h6-8,10-13,15,20H,3-5,9,14H2,1-2H3.
What are the key properties of N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide?
N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109195842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).