N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide

C18H23N3O — CID 109165092

IUPACN-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CC)Cc2ccccc2)ccn1
InChIInChI=1S/C18H23N3O/c1-3-11-19-17-13-16(10-12-20-17)18(22)21(4-2)14-15-8-6-5-7-9-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,19,20)
InChIKeyUXVACPMEAUGKJR-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.57
Rot. Bonds7

About N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide

N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide (PubChem CID 109165092) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
PubChem CID109165092
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CC)Cc2ccccc2)ccn1
InChIInChI=1S/C18H23N3O/c1-3-11-19-17-13-16(10-12-20-17)18(22)21(4-2)14-15-8-6-5-7-9-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,19,20)
InChIKeyUXVACPMEAUGKJR-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109171507
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide
CID 109171558
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
CID 109171538
N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
CID 109169536
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109167828
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide (CID 109165092) is N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(CC)Cc2ccccc2)ccn1.
What is the InChIKey of N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is UXVACPMEAUGKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-11-19-17-13-16(10-12-20-17)18(22)21(4-2)14-15-8-6-5-7-9-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,19,20).
What are the key properties of N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide?
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109165092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).