N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

C23H29N7O3 — CID 170123508

IUPACN-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5onc(C)c5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C23H29N7O3/c1-14-19-22(32)26-20(27-23(19)33-28-14)15-4-3-9-30(13-15)16-7-10-29(11-8-16)17-5-6-18(25-12-17)21(31)24-2/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,24,31)(H,26,27,32)
InChIKeyFSMJRQOEUSXTSO-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.82
Rot. Bonds4

About N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 170123508) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID170123508
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5onc(C)c5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C23H29N7O3/c1-14-19-22(32)26-20(27-23(19)33-28-14)15-4-3-9-30(13-15)16-7-10-29(11-8-16)17-5-6-18(25-12-17)21(31)24-2/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,24,31)(H,26,27,32)
InChIKeyFSMJRQOEUSXTSO-UHFFFAOYSA-N
XLogP1.82
TPSA120.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (CID 170123508) is N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5onc(C)c5c(=O)[nH]4)C3)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is FSMJRQOEUSXTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-14-19-22(32)26-20(27-23(19)33-28-14)15-4-3-9-30(13-15)16-7-10-29(11-8-16)17-5-6-18(25-12-17)21(31)24-2/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,24,31)(H,26,27,32).
What are the key properties of N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170123508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).