N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide

C15H22N4O2 — CID 124754851

IUPACN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide
SMILESC[C@@H](c1ccncn1)N(C)C(=O)CCCN1CCCC1=O
InChIInChI=1S/C15H22N4O2/c1-12(13-7-8-16-11-17-13)18(2)14(20)5-3-9-19-10-4-6-15(19)21/h7-8,11-12H,3-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyPAKIONHGYZOIGE-LBPRGKRZSA-N
MW290.37 g/mol
LogP1.40
Rot. Bonds6

About N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide (PubChem CID 124754851) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide
PubChem CID124754851
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide
SMILESC[C@@H](c1ccncn1)N(C)C(=O)CCCN1CCCC1=O
InChIInChI=1S/C15H22N4O2/c1-12(13-7-8-16-11-17-13)18(2)14(20)5-3-9-19-10-4-6-15(19)21/h7-8,11-12H,3-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyPAKIONHGYZOIGE-LBPRGKRZSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(2-oxopiperidin-1-yl)-N-[(1R)-1-pyrimidin-4-ylethyl]propanamide
CID 124757772
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide
CID 124969226
N,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 130233945
1-methyl-3-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 95969174
4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid
CID 134570485
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 117085100
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
4-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]pyridine-3-carboxamide
CID 133454804
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45225536
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 124755565
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 44998685

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide?
The IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide (CID 124754851) is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide.
What is the SMILES notation for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide?
The canonical SMILES for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide is C[C@@H](c1ccncn1)N(C)C(=O)CCCN1CCCC1=O.
What is the InChIKey of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide?
The InChIKey is PAKIONHGYZOIGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12(13-7-8-16-11-17-13)18(2)14(20)5-3-9-19-10-4-6-15(19)21/h7-8,11-12H,3-6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide?
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide has a molecular weight of 290.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-pyrimidin-4-ylethyl]butanamide is sourced from PubChem (CID 124754851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).