N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C16H22N4O2 — CID 121338574

IUPACN,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1
InChIInChI=1S/C16H22N4O2/c1-18-8-5-11(6-9-18)20(3)15(21)13-10-19(2)16(22)14-12(13)4-7-17-14/h4,7,10-11,17H,5-6,8-9H2,1-3H3
InChIKeyWSBRDLIMEGQZPA-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.03
Rot. Bonds2

About N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338574) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338574
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1
InChIInChI=1S/C16H22N4O2/c1-18-8-5-11(6-9-18)20(3)15(21)13-10-19(2)16(22)14-12(13)4-7-17-14/h4,7,10-11,17H,5-6,8-9H2,1-3H3
InChIKeyWSBRDLIMEGQZPA-UHFFFAOYSA-N
XLogP1.03
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338574) is N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CN1CCC(N(C)C(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1.
What is the InChIKey of N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is WSBRDLIMEGQZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18-8-5-11(6-9-18)20(3)15(21)13-10-19(2)16(22)14-12(13)4-7-17-14/h4,7,10-11,17H,5-6,8-9H2,1-3H3.
What are the key properties of N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).