N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide

C15H21N5O2 — CID 135624031

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC
InChIInChI=1S/C15H21N5O2/c1-3-20-6-4-5-10(20)9-16-15(21)11-7-12-13(18-19-17-12)8-14(11)22-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyLJLFHCVDIPAFIU-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.18
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide (PubChem CID 135624031) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide
PubChem CID135624031
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC
InChIInChI=1S/C15H21N5O2/c1-3-20-6-4-5-10(20)9-16-15(21)11-7-12-13(18-19-17-12)8-14(11)22-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyLJLFHCVDIPAFIU-UHFFFAOYSA-N
XLogP1.18
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]-3H-benzotriazole-5-carboxamide
CID 135565276
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 92973518
N-[(1-ethylazepan-2-yl)methyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 67703253
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2,4-dimethoxybenzamide
CID 12848761
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide
CID 14528112
4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide
CID 1379333
4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydrochloride
CID 77108201
4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
CID 134543671
4-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
CID 165341550
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide (CID 135624031) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide is CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide?
The InChIKey is LJLFHCVDIPAFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-20-6-4-5-10(20)9-16-15(21)11-7-12-13(18-19-17-12)8-14(11)22-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,21)(H,17,18,19).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide is sourced from PubChem (CID 135624031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).