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

C22H27N5O2 — CID 145081262

IUPACN-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C22H27N5O2/c1-25-14-19(18-7-10-24-20(18)22(25)29)21(28)26(2)17-8-11-27(12-9-17)13-15-3-5-16(23)6-4-15/h3-7,10,14,17,24H,8-9,11-13,23H2,1-2H3
InChIKeyGQYWSBUMUXBPHR-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.19
Rot. Bonds4

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

N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 145081262) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID145081262
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C22H27N5O2/c1-25-14-19(18-7-10-24-20(18)22(25)29)21(28)26(2)17-8-11-27(12-9-17)13-15-3-5-16(23)6-4-15/h3-7,10,14,17,24H,8-9,11-13,23H2,1-2H3
InChIKeyGQYWSBUMUXBPHR-UHFFFAOYSA-N
XLogP2.19
TPSA87.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530
N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338423
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338536
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338547
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 163766585
6-methyl-4-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121338202
1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 69105973
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338309
4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334596
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 145081262) is N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CN(C(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CCN(Cc2ccc(N)cc2)CC1.
What is the InChIKey of N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is GQYWSBUMUXBPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-25-14-19(18-7-10-24-20(18)22(25)29)21(28)26(2)17-8-11-27(12-9-17)13-15-3-5-16(23)6-4-15/h3-7,10,14,17,24H,8-9,11-13,23H2,1-2H3.
What are the key properties of N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 145081262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).