N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C19H24N4O — CID 109249433

IUPACN-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C19H24N4O/c1-15(2)23(14-16-8-4-3-5-9-16)18(24)17-12-20-19(21-13-17)22-10-6-7-11-22/h3-5,8-9,12-13,15H,6-7,10-11,14H2,1-2H3
InChIKeyIESBGEGBOLHIKX-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.13
Rot. Bonds5

About N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109249433) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID109249433
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C19H24N4O/c1-15(2)23(14-16-8-4-3-5-9-16)18(24)17-12-20-19(21-13-17)22-10-6-7-11-22/h3-5,8-9,12-13,15H,6-7,10-11,14H2,1-2H3
InChIKeyIESBGEGBOLHIKX-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 109254780
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
2-(azepan-1-yl)-N-benzyl-N-phenylpyrimidine-5-carboxamide
CID 109265025
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256640
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109257696
N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109251208
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109302421
N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109158221
N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109227244

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 109249433) is N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is IESBGEGBOLHIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15(2)23(14-16-8-4-3-5-9-16)18(24)17-12-20-19(21-13-17)22-10-6-7-11-22/h3-5,8-9,12-13,15H,6-7,10-11,14H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109249433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).