3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

C14H18N6O — CID 60866406

IUPAC3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCc1nnnn1-c1cccc(NC(=O)CCNC2CC2)c1
InChIInChI=1S/C14H18N6O/c1-10-17-18-19-20(10)13-4-2-3-12(9-13)16-14(21)7-8-15-11-5-6-11/h2-4,9,11,15H,5-8H2,1H3,(H,16,21)
InChIKeyLMVCGGAIINVCAG-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.05
Rot. Bonds6

About 3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (PubChem CID 60866406) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
PubChem CID60866406
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCc1nnnn1-c1cccc(NC(=O)CCNC2CC2)c1
InChIInChI=1S/C14H18N6O/c1-10-17-18-19-20(10)13-4-2-3-12(9-13)16-14(21)7-8-15-11-5-6-11/h2-4,9,11,15H,5-8H2,1H3,(H,16,21)
InChIKeyLMVCGGAIINVCAG-UHFFFAOYSA-N
XLogP1.05
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 55677152
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 131890339
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36913316
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (CID 60866406) is 3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is Cc1nnnn1-c1cccc(NC(=O)CCNC2CC2)c1.
What is the InChIKey of 3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The InChIKey is LMVCGGAIINVCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-17-18-19-20(10)13-4-2-3-12(9-13)16-14(21)7-8-15-11-5-6-11/h2-4,9,11,15H,5-8H2,1H3,(H,16,21).
What are the key properties of 3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide has a molecular weight of 286.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 60866406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).