N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide

C19H19ClN4O — CID 20886299

IUPACN-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnn2c3c(cnc12)CCCCC3
InChIInChI=1S/C19H19ClN4O/c20-16-8-5-4-6-13(16)10-22-19(25)15-12-23-24-17-9-3-1-2-7-14(17)11-21-18(15)24/h4-6,8,11-12H,1-3,7,9-10H2,(H,22,25)
InChIKeyYJYTWLOCGWWRPJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.58
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide

N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide (PubChem CID 20886299) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
PubChem CID20886299
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnn2c3c(cnc12)CCCCC3
InChIInChI=1S/C19H19ClN4O/c20-16-8-5-4-6-13(16)10-22-19(25)15-12-23-24-17-9-3-1-2-7-14(17)11-21-18(15)24/h4-6,8,11-12H,1-3,7,9-10H2,(H,22,25)
InChIKeyYJYTWLOCGWWRPJ-UHFFFAOYSA-N
XLogP3.58
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-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-[(4-fluorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919334
N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919240
N-(thiophen-2-ylmethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919339
N-(furan-2-ylmethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919312
N-(3-chloro-2-methylphenyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919318
N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 3447593
N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919323
2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613758
N-[(2-chlorophenyl)methyl]-7-[2-[(3,4-dichlorobenzoyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171343438
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 136529821
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide (CID 20886299) is N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide is O=C(NCc1ccccc1Cl)c1cnn2c3c(cnc12)CCCCC3.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide?
The InChIKey is YJYTWLOCGWWRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-16-8-5-4-6-13(16)10-22-19(25)15-12-23-24-17-9-3-1-2-7-14(17)11-21-18(15)24/h4-6,8,11-12H,1-3,7,9-10H2,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide?
N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 20886299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).