5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C17H19N5O4 — CID 71767402

IUPAC5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNc1c(C(=O)NCC2CCN(C(=O)c3ccccc3)C2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H19N5O4/c18-12-13(20-17(26)21-14(12)23)15(24)19-8-10-6-7-22(9-10)16(25)11-4-2-1-3-5-11/h1-5,10H,6-9,18H2,(H,19,24)(H2,20,21,23,26)
InChIKeyHEULLYIREGXGKP-UHFFFAOYSA-N
MW357.37 g/mol
LogP-0.46
Rot. Bonds4

About 5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 71767402) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID71767402
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNc1c(C(=O)NCC2CCN(C(=O)c3ccccc3)C2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H19N5O4/c18-12-13(20-17(26)21-14(12)23)15(24)19-8-10-6-7-22(9-10)16(25)11-4-2-1-3-5-11/h1-5,10H,6-9,18H2,(H,19,24)(H2,20,21,23,26)
InChIKeyHEULLYIREGXGKP-UHFFFAOYSA-N
XLogP-0.46
TPSA141.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 154793920
N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 136527096
5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 132971327
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
2-amino-5-(1-methylpyrazol-4-yl)-N-[[(3S)-1-(4-phenylbenzoyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 142325457
5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 155950358
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
tert-butyl 3-[[(4-phenylbenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71270947

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 71767402) is 5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Nc1c(C(=O)NCC2CCN(C(=O)c3ccccc3)C2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is HEULLYIREGXGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c18-12-13(20-17(26)21-14(12)23)15(24)19-8-10-6-7-22(9-10)16(25)11-4-2-1-3-5-11/h1-5,10H,6-9,18H2,(H,19,24)(H2,20,21,23,26).
What are the key properties of 5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 357.37 g/mol, XLogP of -0.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 71767402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).