N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide

C15H17N7O — CID 169345200

IUPACN-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(NC=C(C#N)c2nn[nH]n2)c1
InChIInChI=1S/C15H17N7O/c1-2-3-7-14(23)18-13-6-4-5-12(8-13)17-10-11(9-16)15-19-21-22-20-15/h4-6,8,10,17H,2-3,7H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyLFPNYKWYNBYOQV-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.30
Rot. Bonds7

About N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide

N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide (PubChem CID 169345200) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide
PubChem CID169345200
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(NC=C(C#N)c2nn[nH]n2)c1
InChIInChI=1S/C15H17N7O/c1-2-3-7-14(23)18-13-6-4-5-12(8-13)17-10-11(9-16)15-19-21-22-20-15/h4-6,8,10,17H,2-3,7H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyLFPNYKWYNBYOQV-UHFFFAOYSA-N
XLogP2.30
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]-2-phenylacetamide
CID 169343177
N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide
CID 169344602
N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]benzamide
CID 169342731
tert-butyl N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]carbamate
CID 169342388
N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide
CID 169343117
3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-N,N-diethylbenzamide
CID 169343475
methyl 2-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]acetate
CID 169342777
3-(3-propan-2-ylanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169346776
N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide
CID 169346329
3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-N-(2,6-dimethylphenyl)benzamide
CID 169343133
3-[3-(hydroxymethyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169342243
3-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]prop-2-enoic acid
CID 169344039

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide?
The IUPAC name of N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide (CID 169345200) is N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide.
What is the SMILES notation for N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide?
The canonical SMILES for N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide is CCCCC(=O)Nc1cccc(NC=C(C#N)c2nn[nH]n2)c1.
What is the InChIKey of N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide?
The InChIKey is LFPNYKWYNBYOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-2-3-7-14(23)18-13-6-4-5-12(8-13)17-10-11(9-16)15-19-21-22-20-15/h4-6,8,10,17H,2-3,7H2,1H3,(H,18,23)(H,19,20,21,22).
What are the key properties of N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide?
N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide has a molecular weight of 311.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide is sourced from PubChem (CID 169345200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).