(Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide

C19H19N5O — CID 97462637

IUPAC(Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide
SMILESC/C(=C/C(=O)Nc1ccc(-n2cncn2)nc1)CCc1ccccc1
InChIInChI=1S/C19H19N5O/c1-15(7-8-16-5-3-2-4-6-16)11-19(25)23-17-9-10-18(21-12-17)24-14-20-13-22-24/h2-6,9-14H,7-8H2,1H3,(H,23,25)/b15-11-
InChIKeyIZQPIDXQRGBOMM-PTNGSMBKSA-N
MW333.40 g/mol
LogP3.18
Rot. Bonds6

About (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide

(Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide (PubChem CID 97462637) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide
PubChem CID97462637
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide
SMILESC/C(=C/C(=O)Nc1ccc(-n2cncn2)nc1)CCc1ccccc1
InChIInChI=1S/C19H19N5O/c1-15(7-8-16-5-3-2-4-6-16)11-19(25)23-17-9-10-18(21-12-17)24-14-20-13-22-24/h2-6,9-14H,7-8H2,1H3,(H,23,25)/b15-11-
InChIKeyIZQPIDXQRGBOMM-PTNGSMBKSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide with MolForge

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Related Compounds

N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide
CID 72687029
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 30854792
3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 154841045
3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 62839172
1-(pyridin-3-ylmethyl)-1-(pyridin-4-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47076580
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 95145415
(E)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 30806009
1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 30765886
1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 75461242

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide?
The IUPAC name of (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide (CID 97462637) is (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide.
What is the SMILES notation for (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide?
The canonical SMILES for (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide is C/C(=C/C(=O)Nc1ccc(-n2cncn2)nc1)CCc1ccccc1.
What is the InChIKey of (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide?
The InChIKey is IZQPIDXQRGBOMM-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H19N5O/c1-15(7-8-16-5-3-2-4-6-16)11-19(25)23-17-9-10-18(21-12-17)24-14-20-13-22-24/h2-6,9-14H,7-8H2,1H3,(H,23,25)/b15-11-.
What are the key properties of (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide?
(Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide has a molecular weight of 333.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide is sourced from PubChem (CID 97462637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).