N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide

C16H19N7O — CID 169343117

IUPACN-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C)cc1NC=C(C#N)c1nn[nH]n1
InChIInChI=1S/C16H19N7O/c1-3-4-5-15(24)19-13-7-6-11(2)8-14(13)18-10-12(9-17)16-20-22-23-21-16/h6-8,10,18H,3-5H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyNHDFFDLXQBFPAJ-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.61
Rot. Bonds7

About N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide

N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide (PubChem CID 169343117) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide.

Molecular Properties

Compound NameN-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide
PubChem CID169343117
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C)cc1NC=C(C#N)c1nn[nH]n1
InChIInChI=1S/C16H19N7O/c1-3-4-5-15(24)19-13-7-6-11(2)8-14(13)18-10-12(9-17)16-20-22-23-21-16/h6-8,10,18H,3-5H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyNHDFFDLXQBFPAJ-UHFFFAOYSA-N
XLogP2.61
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.61
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-[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]pentanamide
CID 169345200
3-(2-bromo-5-methylanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169342240
2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-5-methylbenzenesulfonic acid
CID 169346738
N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]acetamide
CID 169342393
4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-3-methylbenzoic acid
CID 169346911
3-[5-methyl-2-(2-oxopyrrolidin-1-yl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169345154
3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-2-hydroxy-5-methylbenzenesulfonic acid
CID 169345530
N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-2,4,6-trimethylphenyl]acetamide
CID 169344790
tert-butyl N-[4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-2-methylphenyl]carbamate
CID 169344638
4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-3-fluoro-N-methylbenzamide
CID 169346501
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide?
The IUPAC name of N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide (CID 169343117) is N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide.
What is the SMILES notation for N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide?
The canonical SMILES for N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide is CCCCC(=O)Nc1ccc(C)cc1NC=C(C#N)c1nn[nH]n1.
What is the InChIKey of N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide?
The InChIKey is NHDFFDLXQBFPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-3-4-5-15(24)19-13-7-6-11(2)8-14(13)18-10-12(9-17)16-20-22-23-21-16/h6-8,10,18H,3-5H2,1-2H3,(H,19,24)(H,20,21,22,23).
What are the key properties of N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide?
N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide has a molecular weight of 325.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide is sourced from PubChem (CID 169343117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).