2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

C17H24N6O3 — CID 166384282

IUPAC2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCN(CC1CCN(C(=O)C2CCC(=O)NC2)C1)C(=O)c1cnc(N)nc1
InChIInChI=1S/C17H24N6O3/c1-22(15(25)13-7-20-17(18)21-8-13)9-11-4-5-23(10-11)16(26)12-2-3-14(24)19-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,24)(H2,18,20,21)
InChIKeyHDJHAQJSQKLHOA-UHFFFAOYSA-N
MW360.42 g/mol
LogP-0.49
Rot. Bonds4

About 2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 166384282) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID166384282
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCN(CC1CCN(C(=O)C2CCC(=O)NC2)C1)C(=O)c1cnc(N)nc1
InChIInChI=1S/C17H24N6O3/c1-22(15(25)13-7-20-17(18)21-8-13)9-11-4-5-23(10-11)16(26)12-2-3-14(24)19-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,24)(H2,18,20,21)
InChIKeyHDJHAQJSQKLHOA-UHFFFAOYSA-N
XLogP-0.49
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 166384282) is 2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is CN(CC1CCN(C(=O)C2CCC(=O)NC2)C1)C(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is HDJHAQJSQKLHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-22(15(25)13-7-20-17(18)21-8-13)9-11-4-5-23(10-11)16(26)12-2-3-14(24)19-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,24)(H2,18,20,21).
What are the key properties of 2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 166384282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).