2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one

C14H23N3O — CID 114038762

IUPAC2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(CNC(C)CN2CCCC2)c[nH]1
InChIInChI=1S/C14H23N3O/c1-11-7-14(18)13(8-15-11)9-16-12(2)10-17-5-3-4-6-17/h7-8,12,16H,3-6,9-10H2,1-2H3,(H,15,18)
InChIKeyTUIBBLZWRKLWGT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.26
Rot. Bonds5

About 2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one

2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one (PubChem CID 114038762) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one
PubChem CID114038762
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(CNC(C)CN2CCCC2)c[nH]1
InChIInChI=1S/C14H23N3O/c1-11-7-14(18)13(8-15-11)9-16-12(2)10-17-5-3-4-6-17/h7-8,12,16H,3-6,9-10H2,1-2H3,(H,15,18)
InChIKeyTUIBBLZWRKLWGT-UHFFFAOYSA-N
XLogP1.26
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-oxo-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyridine-3-carboxamide
CID 103717573
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54976733
N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 102615571
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide
CID 114480039
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
N-[(2-chloro-5-nitrophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471859
1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43791734
N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107972034
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369
N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one (CID 114038762) is 2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one is Cc1cc(=O)c(CNC(C)CN2CCCC2)c[nH]1.
What is the InChIKey of 2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one?
The InChIKey is TUIBBLZWRKLWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-7-14(18)13(8-15-11)9-16-12(2)10-17-5-3-4-6-17/h7-8,12,16H,3-6,9-10H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one?
2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one has a molecular weight of 249.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one is sourced from PubChem (CID 114038762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).