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

C23H28N4O2 — CID 121338193

IUPACN,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCC(c1ccccc1)N1CCC(N(C)C(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1
InChIInChI=1S/C23H28N4O2/c1-16(17-7-5-4-6-8-17)27-13-10-18(11-14-27)26(3)22(28)20-15-25(2)23(29)21-19(20)9-12-24-21/h4-9,12,15-16,18,24H,10-11,13-14H2,1-3H3
InChIKeyYSPRKABKBRUYOT-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.16
Rot. Bonds4

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

N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338193) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338193
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCC(c1ccccc1)N1CCC(N(C)C(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1
InChIInChI=1S/C23H28N4O2/c1-16(17-7-5-4-6-8-17)27-13-10-18(11-14-27)26(3)22(28)20-15-25(2)23(29)21-19(20)9-12-24-21/h4-9,12,15-16,18,24H,10-11,13-14H2,1-3H3
InChIKeyYSPRKABKBRUYOT-UHFFFAOYSA-N
XLogP3.16
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338193) is N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CC(c1ccccc1)N1CCC(N(C)C(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1.
What is the InChIKey of N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is YSPRKABKBRUYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(17-7-5-4-6-8-17)27-13-10-18(11-14-27)26(3)22(28)20-15-25(2)23(29)21-19(20)9-12-24-21/h4-9,12,15-16,18,24H,10-11,13-14H2,1-3H3.
What are the key properties of N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-7-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).