N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C19H28N4O4 — CID 139474549

IUPACN-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)N[C@@H]2CN(C(=O)CC(C)C)CC2C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N4O4/c1-11(2)6-17(25)22-8-14(13-4-5-13)15(9-22)20-16(24)10-23-7-12(3)18(26)21-19(23)27/h7,11,13-15H,4-6,8-10H2,1-3H3,(H,20,24)(H,21,26,27)/t14?,15-/m1/s1
InChIKeyHQFWCVTYEIEDIE-YSSOQSIOSA-N
MW376.46 g/mol
LogP0.24
Rot. Bonds6

About N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 139474549) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID139474549
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)N[C@@H]2CN(C(=O)CC(C)C)CC2C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N4O4/c1-11(2)6-17(25)22-8-14(13-4-5-13)15(9-22)20-16(24)10-23-7-12(3)18(26)21-19(23)27/h7,11,13-15H,4-6,8-10H2,1-3H3,(H,20,24)(H,21,26,27)/t14?,15-/m1/s1
InChIKeyHQFWCVTYEIEDIE-YSSOQSIOSA-N
XLogP0.24
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 139474549) is N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)N[C@@H]2CN(C(=O)CC(C)C)CC2C2CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is HQFWCVTYEIEDIE-YSSOQSIOSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-11(2)6-17(25)22-8-14(13-4-5-13)15(9-22)20-16(24)10-23-7-12(3)18(26)21-19(23)27/h7,11,13-15H,4-6,8-10H2,1-3H3,(H,20,24)(H,21,26,27)/t14?,15-/m1/s1.
What are the key properties of N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 139474549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).