1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one

C18H24N4O — CID 95140081

IUPAC1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one
SMILESCc1ccnc(NC[C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)c1
InChIInChI=1S/C18H24N4O/c1-14-3-6-19-17(9-14)20-11-16-5-8-22(13-16)12-15-4-7-21(2)18(23)10-15/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyZSMVISZLWCNVIV-MRXNPFEDSA-N
MW312.42 g/mol
LogP2.02
Rot. Bonds5

About 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one

1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one (PubChem CID 95140081) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one
PubChem CID95140081
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one
SMILESCc1ccnc(NC[C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)c1
InChIInChI=1S/C18H24N4O/c1-14-3-6-19-17(9-14)20-11-16-5-8-22(13-16)12-15-4-7-21(2)18(23)10-15/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyZSMVISZLWCNVIV-MRXNPFEDSA-N
XLogP2.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one with MolForge

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Related Compounds

N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide
CID 95139160
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CID 95139063
1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
CID 86773811
4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461791
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
4-methyl-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413738
1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one
CID 94443902
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329841
N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95139694
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028928
N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide
CID 95204337

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one (CID 95140081) is 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one is Cc1ccnc(NC[C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)c1.
What is the InChIKey of 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one?
The InChIKey is ZSMVISZLWCNVIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-3-6-19-17(9-14)20-11-16-5-8-22(13-16)12-15-4-7-21(2)18(23)10-15/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one?
1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one has a molecular weight of 312.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 95140081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).