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

C20H23N5O2 — CID 148684618

IUPACN,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)c2c1C=CC2)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C20H23N5O2/c1-23-12-17(15-4-3-5-16(15)19(23)26)20(27)24(2)14-7-10-25(11-8-14)18-6-9-21-13-22-18/h3-4,6,9,12-14H,5,7-8,10-11H2,1-2H3
InChIKeyNSHAXNUIEKGFFN-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.49
Rot. Bonds3

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

N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 148684618) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID148684618
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)c2c1C=CC2)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C20H23N5O2/c1-23-12-17(15-4-3-5-16(15)19(23)26)20(27)24(2)14-7-10-25(11-8-14)18-6-9-21-13-22-18/h3-4,6,9,12-14H,5,7-8,10-11H2,1-2H3
InChIKeyNSHAXNUIEKGFFN-UHFFFAOYSA-N
XLogP1.49
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide (CID 148684618) is N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide is CN(C(=O)c1cn(C)c(=O)c2c1C=CC2)C1CCN(c2ccncn2)CC1.
What is the InChIKey of N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is NSHAXNUIEKGFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-12-17(15-4-3-5-16(15)19(23)26)20(27)24(2)14-7-10-25(11-8-14)18-6-9-21-13-22-18/h3-4,6,9,12-14H,5,7-8,10-11H2,1-2H3.
What are the key properties of N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide?
N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 148684618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).