2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide

C14H18N6O — CID 64823717

IUPAC2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2N)cc1-n1cnnn1
InChIInChI=1S/C14H18N6O/c1-9-5-6-10(7-13(9)20-8-16-18-19-20)17-14(21)11-3-2-4-12(11)15/h5-8,11-12H,2-4,15H2,1H3,(H,17,21)
InChIKeyYLCFXKIZGJKNMV-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.04
Rot. Bonds3

About 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide

2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 64823717) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID64823717
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2N)cc1-n1cnnn1
InChIInChI=1S/C14H18N6O/c1-9-5-6-10(7-13(9)20-8-16-18-19-20)17-14(21)11-3-2-4-12(11)15/h5-8,11-12H,2-4,15H2,1H3,(H,17,21)
InChIKeyYLCFXKIZGJKNMV-UHFFFAOYSA-N
XLogP1.04
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide (CID 64823717) is 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2CCCC2N)cc1-n1cnnn1.
What is the InChIKey of 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is YLCFXKIZGJKNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9-5-6-10(7-13(9)20-8-16-18-19-20)17-14(21)11-3-2-4-12(11)15/h5-8,11-12H,2-4,15H2,1H3,(H,17,21).
What are the key properties of 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide?
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 64823717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).