1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one

C15H21N3O — CID 66410985

IUPAC1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one
SMILESCCCn1cccc1CNc1ccc(=O)n(CC)c1
InChIInChI=1S/C15H21N3O/c1-3-9-18-10-5-6-14(18)11-16-13-7-8-15(19)17(4-2)12-13/h5-8,10,12,16H,3-4,9,11H2,1-2H3
InChIKeyWHQVVHCKAJVBNS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.69
Rot. Bonds6

About 1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one

1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one (PubChem CID 66410985) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one
PubChem CID66410985
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one
SMILESCCCn1cccc1CNc1ccc(=O)n(CC)c1
InChIInChI=1S/C15H21N3O/c1-3-9-18-10-5-6-14(18)11-16-13-7-8-15(19)17(4-2)12-13/h5-8,10,12,16H,3-4,9,11H2,1-2H3
InChIKeyWHQVVHCKAJVBNS-UHFFFAOYSA-N
XLogP2.69
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555517
1-ethyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 54864112
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
1,3-dimethyl-6-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]pyrimidine-2,4-dione
CID 146144159
1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine
CID 66411903
1-methyl-3-[4-[(1-propylpyrrol-2-yl)methylamino]phenyl]urea
CID 66412531
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555520
4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66413662
5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 54863932
4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66412299
5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
CID 54864001
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one (CID 66410985) is 1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one is CCCn1cccc1CNc1ccc(=O)n(CC)c1.
What is the InChIKey of 1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one?
The InChIKey is WHQVVHCKAJVBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-9-18-10-5-6-14(18)11-16-13-7-8-15(19)17(4-2)12-13/h5-8,10,12,16H,3-4,9,11H2,1-2H3.
What are the key properties of 1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one?
1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 66410985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).