N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide

C19H27N5O2 — CID 21223400

IUPACN-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide
SMILESCOc1cc2c(cc1C(=O)NC1CCCCN(CC3CC3)C1)nnn2C
InChIInChI=1S/C19H27N5O2/c1-23-17-10-18(26-2)15(9-16(17)21-22-23)19(25)20-14-5-3-4-8-24(12-14)11-13-6-7-13/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,25)
InChIKeyAFLUYOJXVHMSKT-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.97
Rot. Bonds5

About N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide

N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide (PubChem CID 21223400) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide
PubChem CID21223400
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide
SMILESCOc1cc2c(cc1C(=O)NC1CCCCN(CC3CC3)C1)nnn2C
InChIInChI=1S/C19H27N5O2/c1-23-17-10-18(26-2)15(9-16(17)21-22-23)19(25)20-14-5-3-4-8-24(12-14)11-13-6-7-13/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,25)
InChIKeyAFLUYOJXVHMSKT-UHFFFAOYSA-N
XLogP1.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-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

1-cyclopropyl-N-(1-ethyl-azacyclododec-3-yl)-6-methoxybenzotriazole-5-carboxamide
CID 139745502
N-(1-ethylazepan-3-yl)-6-methoxy-1-prop-2-ynylbenzotriazole-5-carboxamide
CID 139698917
1-[1-(cyclohexylmethyl)azepan-3-yl]-6-methoxybenzotriazole-5-carboxamide
CID 139698935
4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide
CID 20689433
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
N-cyclohexyl-2,5-dimethoxy-4-methylbenzamide
CID 110763218
4-amino-5-chloro-N-[1-(cyclohexylmethyl)-3-methylpiperidin-4-yl]-2-methoxybenzamide
CID 15572448
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 45178957
4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane
CID 143522216
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide (CID 21223400) is N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide is COc1cc2c(cc1C(=O)NC1CCCCN(CC3CC3)C1)nnn2C.
What is the InChIKey of N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide?
The InChIKey is AFLUYOJXVHMSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-23-17-10-18(26-2)15(9-16(17)21-22-23)19(25)20-14-5-3-4-8-24(12-14)11-13-6-7-13/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,25).
What are the key properties of N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide?
N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 21223400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).