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

C24H27N5O2 — CID 163766585

IUPACN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCc1c[nH]c2c(=O)n(C)cc(C(=O)N(C)C3CCN(Cc4cccc(C#N)c4)CC3)c12
InChIInChI=1S/C24H27N5O2/c1-16-13-26-22-21(16)20(15-27(2)24(22)31)23(30)28(3)19-7-9-29(10-8-19)14-18-6-4-5-17(11-18)12-25/h4-6,11,13,15,19,26H,7-10,14H2,1-3H3
InChIKeyMCUOHVHJLUHYKC-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.78
Rot. Bonds4

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

N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 163766585) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID163766585
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCc1c[nH]c2c(=O)n(C)cc(C(=O)N(C)C3CCN(Cc4cccc(C#N)c4)CC3)c12
InChIInChI=1S/C24H27N5O2/c1-16-13-26-22-21(16)20(15-27(2)24(22)31)23(30)28(3)19-7-9-29(10-8-19)14-18-6-4-5-17(11-18)12-25/h4-6,11,13,15,19,26H,7-10,14H2,1-3H3
InChIKeyMCUOHVHJLUHYKC-UHFFFAOYSA-N
XLogP2.78
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 145081262
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 24731097
3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24706025
3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzonitrile
CID 58395433
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 24731106
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338536
3-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]propanamide
CID 77083170
4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid
CID 18662881
3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 63251060
3-[[4-(5-oxo-1H-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]benzonitrile
CID 154755513
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)-4-methylsulfonylbenzamide
CID 24731104
2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide
CID 21106887

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 163766585) is N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is Cc1c[nH]c2c(=O)n(C)cc(C(=O)N(C)C3CCN(Cc4cccc(C#N)c4)CC3)c12.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is MCUOHVHJLUHYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-13-26-22-21(16)20(15-27(2)24(22)31)23(30)28(3)19-7-9-29(10-8-19)14-18-6-4-5-17(11-18)12-25/h4-6,11,13,15,19,26H,7-10,14H2,1-3H3.
What are the key properties of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 163766585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).