4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide

C23H24N6O2 — CID 110085093

IUPAC4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccccc2)c(C2CCCN2C(=O)c2cccnc2N)n1
InChIInChI=1S/C23H24N6O2/c1-15-26-14-18(22(30)27-13-16-7-3-2-4-8-16)20(28-15)19-10-6-12-29(19)23(31)17-9-5-11-25-21(17)24/h2-5,7-9,11,14,19H,6,10,12-13H2,1H3,(H2,24,25)(H,27,30)
InChIKeyQUGYXKMPRNZPEE-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.67
Rot. Bonds5

About 4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide

4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide (PubChem CID 110085093) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide
PubChem CID110085093
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccccc2)c(C2CCCN2C(=O)c2cccnc2N)n1
InChIInChI=1S/C23H24N6O2/c1-15-26-14-18(22(30)27-13-16-7-3-2-4-8-16)20(28-15)19-10-6-12-29(19)23(31)17-9-5-11-25-21(17)24/h2-5,7-9,11,14,19H,6,10,12-13H2,1H3,(H2,24,25)(H,27,30)
InChIKeyQUGYXKMPRNZPEE-UHFFFAOYSA-N
XLogP2.67
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 132767196
N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085118
N-benzyl-2-methyl-4-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 92640601
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 110095709
4-[1-(1-benzofuran-2-carbonyl)pyrrolidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 110085080
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639588
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45195904
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
N-[(3,5-dimethylphenyl)methyl]-2-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 118378041

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide (CID 110085093) is 4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2ccccc2)c(C2CCCN2C(=O)c2cccnc2N)n1.
What is the InChIKey of 4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide?
The InChIKey is QUGYXKMPRNZPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-26-14-18(22(30)27-13-16-7-3-2-4-8-16)20(28-15)19-10-6-12-29(19)23(31)17-9-5-11-25-21(17)24/h2-5,7-9,11,14,19H,6,10,12-13H2,1H3,(H2,24,25)(H,27,30).
What are the key properties of 4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide?
4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110085093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).