N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide

C19H24N4O — CID 70746461

IUPACN-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(c2ncnc(C)c2C)C[C@H]1c1ccc(C)cc1
InChIInChI=1S/C19H24N4O/c1-12-5-7-16(8-6-12)17-9-23(10-18(17)22-15(4)24)19-13(2)14(3)20-11-21-19/h5-8,11,17-18H,9-10H2,1-4H3,(H,22,24)/t17-,18+/m0/s1
InChIKeyCKESCUSBCHHEDE-ZWKOTPCHSA-N
MW324.43 g/mol
LogP2.51
Rot. Bonds3

About N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide (PubChem CID 70746461) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
PubChem CID70746461
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(c2ncnc(C)c2C)C[C@H]1c1ccc(C)cc1
InChIInChI=1S/C19H24N4O/c1-12-5-7-16(8-6-12)17-9-23(10-18(17)22-15(4)24)19-13(2)14(3)20-11-21-19/h5-8,11,17-18H,9-10H2,1-4H3,(H,22,24)/t17-,18+/m0/s1
InChIKeyCKESCUSBCHHEDE-ZWKOTPCHSA-N
XLogP2.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide (CID 70746461) is N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(c2ncnc(C)c2C)C[C@H]1c1ccc(C)cc1.
What is the InChIKey of N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is CKESCUSBCHHEDE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12-5-7-16(8-6-12)17-9-23(10-18(17)22-15(4)24)19-13(2)14(3)20-11-21-19/h5-8,11,17-18H,9-10H2,1-4H3,(H,22,24)/t17-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70746461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).