N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide

C27H25N5O2 — CID 74507904

IUPACN-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
SMILESCOc1ccc(CN2Cc3[nH]cnc3CC2C(=O)NCc2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C27H25N5O2/c1-34-26-11-10-20(21-4-2-3-5-22(21)26)15-32-16-24-23(30-17-31-24)12-25(32)27(33)29-14-19-8-6-18(13-28)7-9-19/h2-11,17,25H,12,14-16H2,1H3,(H,29,33)(H,30,31)
InChIKeyOHALYPZWCZGCAG-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.69
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide

N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 74507904) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID74507904
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC NameN-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
SMILESCOc1ccc(CN2Cc3[nH]cnc3CC2C(=O)NCc2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C27H25N5O2/c1-34-26-11-10-20(21-4-2-3-5-22(21)26)15-32-16-24-23(30-17-31-24)12-25(32)27(33)29-14-19-8-6-18(13-28)7-9-19/h2-11,17,25H,12,14-16H2,1H3,(H,29,33)(H,30,31)
InChIKeyOHALYPZWCZGCAG-UHFFFAOYSA-N
XLogP3.69
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide (CID 74507904) is N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide is COc1ccc(CN2Cc3[nH]cnc3CC2C(=O)NCc2ccc(C#N)cc2)c2ccccc12.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is OHALYPZWCZGCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-34-26-11-10-20(21-4-2-3-5-22(21)26)15-32-16-24-23(30-17-31-24)12-25(32)27(33)29-14-19-8-6-18(13-28)7-9-19/h2-11,17,25H,12,14-16H2,1H3,(H,29,33)(H,30,31).
What are the key properties of N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 74507904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).