4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one

C13H23N3O — CID 114039685

IUPAC4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one
SMILESCC(C)CNCC(C)NCc1cc[nH]c(=O)c1
InChIInChI=1S/C13H23N3O/c1-10(2)7-14-8-11(3)16-9-12-4-5-15-13(17)6-12/h4-6,10-11,14,16H,7-9H2,1-3H3,(H,15,17)
InChIKeyITQYSTSDZPBVNJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.10
Rot. Bonds7

About 4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one

4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one (PubChem CID 114039685) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one
PubChem CID114039685
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one
SMILESCC(C)CNCC(C)NCc1cc[nH]c(=O)c1
InChIInChI=1S/C13H23N3O/c1-10(2)7-14-8-11(3)16-9-12-4-5-15-13(17)6-12/h4-6,10-11,14,16H,7-9H2,1-3H3,(H,15,17)
InChIKeyITQYSTSDZPBVNJ-UHFFFAOYSA-N
XLogP1.10
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one
CID 106345320
2-N-[(3-chloro-4-iodophenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103208117
1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine
CID 113407270
(2R)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide
CID 95300672
(2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide
CID 95300671
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 102883068
(2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate
CID 138056697
4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one
CID 146274173
2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 107096703
ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one
CID 142506794
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
CID 175939227
CID 175939227

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one (CID 114039685) is 4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one is CC(C)CNCC(C)NCc1cc[nH]c(=O)c1.
What is the InChIKey of 4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one?
The InChIKey is ITQYSTSDZPBVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)7-14-8-11(3)16-9-12-4-5-15-13(17)6-12/h4-6,10-11,14,16H,7-9H2,1-3H3,(H,15,17).
What are the key properties of 4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one?
4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 114039685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).