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

C21H30N4O2 — CID 121338547

IUPACN-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN(CC1CCN(CC2CCC2)CC1)C(=O)c1cn(C)c(=O)c2[nH]ccc12
InChIInChI=1S/C21H30N4O2/c1-23(12-16-7-10-25(11-8-16)13-15-4-3-5-15)20(26)18-14-24(2)21(27)19-17(18)6-9-22-19/h6,9,14-16,22H,3-5,7-8,10-13H2,1-2H3
InChIKeyATQSMBFZOBQDCW-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.45
Rot. Bonds5

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

N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338547) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338547
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN(CC1CCN(CC2CCC2)CC1)C(=O)c1cn(C)c(=O)c2[nH]ccc12
InChIInChI=1S/C21H30N4O2/c1-23(12-16-7-10-25(11-8-16)13-15-4-3-5-15)20(26)18-14-24(2)21(27)19-17(18)6-9-22-19/h6,9,14-16,22H,3-5,7-8,10-13H2,1-2H3
InChIKeyATQSMBFZOBQDCW-UHFFFAOYSA-N
XLogP2.45
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
CID 158801691
N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 145081262
N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530
6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338309
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338536
6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338347
6-methyl-4-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121338202
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
CID 159807518
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 160792289
4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 145081387
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethyl-1H-pyrrole-3-carboxamide
CID 72869126

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338547) is N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CN(CC1CCN(CC2CCC2)CC1)C(=O)c1cn(C)c(=O)c2[nH]ccc12.
What is the InChIKey of N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is ATQSMBFZOBQDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-23(12-16-7-10-25(11-8-16)13-15-4-3-5-15)20(26)18-14-24(2)21(27)19-17(18)6-9-22-19/h6,9,14-16,22H,3-5,7-8,10-13H2,1-2H3.
What are the key properties of N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).