N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide

C18H26N4O3 — CID 133118436

IUPACN-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCC(=O)N1C[C@@H](NC(=O)CCc2c(C)nc(=O)[nH]c2C)[C@H](C2CC2)C1
InChIInChI=1S/C18H26N4O3/c1-10-14(11(2)20-18(25)19-10)6-7-17(24)21-16-9-22(12(3)23)8-15(16)13-4-5-13/h13,15-16H,4-9H2,1-3H3,(H,21,24)(H,19,20,25)/t15-,16+/m0/s1
InChIKeyNLZAEZYSBSIIHT-JKSUJKDBSA-N
MW346.43 g/mol
LogP0.69
Rot. Bonds5

About N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide

N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 133118436) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID133118436
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCC(=O)N1C[C@@H](NC(=O)CCc2c(C)nc(=O)[nH]c2C)[C@H](C2CC2)C1
InChIInChI=1S/C18H26N4O3/c1-10-14(11(2)20-18(25)19-10)6-7-17(24)21-16-9-22(12(3)23)8-15(16)13-4-5-13/h13,15-16H,4-9H2,1-3H3,(H,21,24)(H,19,20,25)/t15-,16+/m0/s1
InChIKeyNLZAEZYSBSIIHT-JKSUJKDBSA-N
XLogP0.69
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide (CID 133118436) is N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide is CC(=O)N1C[C@@H](NC(=O)CCc2c(C)nc(=O)[nH]c2C)[C@H](C2CC2)C1.
What is the InChIKey of N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is NLZAEZYSBSIIHT-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-10-14(11(2)20-18(25)19-10)6-7-17(24)21-16-9-22(12(3)23)8-15(16)13-4-5-13/h13,15-16H,4-9H2,1-3H3,(H,21,24)(H,19,20,25)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 133118436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).