N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide

C21H25N5O2 — CID 158222217

IUPACN,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCc1ccnc(N2CCC(N(C)C(=O)c3cn(C)c(=O)c4c3C=CC4)CC2)n1
InChIInChI=1S/C21H25N5O2/c1-14-7-10-22-21(23-14)26-11-8-15(9-12-26)25(3)20(28)18-13-24(2)19(27)17-6-4-5-16(17)18/h4-5,7,10,13,15H,6,8-9,11-12H2,1-3H3
InChIKeyANMRSYJKYKVNTG-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.79
Rot. Bonds3

About N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide

N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 158222217) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID158222217
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCc1ccnc(N2CCC(N(C)C(=O)c3cn(C)c(=O)c4c3C=CC4)CC2)n1
InChIInChI=1S/C21H25N5O2/c1-14-7-10-22-21(23-14)26-11-8-15(9-12-26)25(3)20(28)18-13-24(2)19(27)17-6-4-5-16(17)18/h4-5,7,10,13,15H,6,8-9,11-12H2,1-3H3
InChIKeyANMRSYJKYKVNTG-UHFFFAOYSA-N
XLogP1.79
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide (CID 158222217) is N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide is Cc1ccnc(N2CCC(N(C)C(=O)c3cn(C)c(=O)c4c3C=CC4)CC2)n1.
What is the InChIKey of N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is ANMRSYJKYKVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-7-10-22-21(23-14)26-11-8-15(9-12-26)25(3)20(28)18-13-24(2)19(27)17-6-4-5-16(17)18/h4-5,7,10,13,15H,6,8-9,11-12H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 158222217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).