4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide

C17H21N3O — CID 68734753

IUPAC4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc(C2CCNNCC2)c2ccccc2c1
InChIInChI=1S/C17H21N3O/c1-18-17(21)14-10-13-4-2-3-5-15(13)16(11-14)12-6-8-19-20-9-7-12/h2-5,10-12,19-20H,6-9H2,1H3,(H,18,21)
InChIKeyPKQKQQHDFFCDEQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.17
Rot. Bonds2

About 4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide

4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide (PubChem CID 68734753) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide
PubChem CID68734753
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc(C2CCNNCC2)c2ccccc2c1
InChIInChI=1S/C17H21N3O/c1-18-17(21)14-10-13-4-2-3-5-15(13)16(11-14)12-6-8-19-20-9-7-12/h2-5,10-12,19-20H,6-9H2,1H3,(H,18,21)
InChIKeyPKQKQQHDFFCDEQ-UHFFFAOYSA-N
XLogP2.17
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(diazepan-5-yl)-N-methylnaphthalene-2-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-(2-methoxyethyl)-5-piperidin-4-ylnaphthalene-2-carboxamide
CID 171396920
N-(cyclopropylmethyl)-5-piperidin-4-ylnaphthalene-2-carboxamide
CID 171396916
1-cyclopentyl-3-methylnaphthalene
CID 153311987
N-methyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17239287
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
N-methylbenzamide
CID 11954
3,5-di(carbazol-9-yl)-N-methylbenzamide
CID 90292857
4-[(E)-3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002182
3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea
CID 141020629
N-methyl-6-piperidin-4-ylpyridine-3-carboxamide
CID 73440684
ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate
CID 70624082
4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 145407052

Frequently Asked Questions

What is the IUPAC name of 4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide (CID 68734753) is 4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide is CNC(=O)c1cc(C2CCNNCC2)c2ccccc2c1.
What is the InChIKey of 4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide?
The InChIKey is PKQKQQHDFFCDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-17(21)14-10-13-4-2-3-5-15(13)16(11-14)12-6-8-19-20-9-7-12/h2-5,10-12,19-20H,6-9H2,1H3,(H,18,21).
What are the key properties of 4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide?
4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diazepan-5-yl)-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 68734753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).