(Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide

C19H14N4O3 — CID 20834788

IUPAC(Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N4O3/c1-12-8-15(23(25)26)6-7-17(12)22-19(24)13(10-20)9-14-11-21-18-5-3-2-4-16(14)18/h2-9,11,21H,1H3,(H,22,24)/b13-9-
InChIKeyLKHRMBMGCUNQAY-LCYFTJDESA-N
MW346.35 g/mol
LogP3.93
Rot. Bonds4

About (Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide

(Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide (PubChem CID 20834788) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
PubChem CID20834788
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name(Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N4O3/c1-12-8-15(23(25)26)6-7-17(12)22-19(24)13(10-20)9-14-11-21-18-5-3-2-4-16(14)18/h2-9,11,21H,1H3,(H,22,24)/b13-9-
InChIKeyLKHRMBMGCUNQAY-LCYFTJDESA-N
XLogP3.93
TPSA111.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(1H-indol-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 916320
(E)-2-cyano-3-(1H-indol-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 916319
(Z)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CID 20834810
(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 1181989
(Z)-2-cyano-3-(4-fluorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 20834786
2-cyano-3-(2,4-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 3134486
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247
methyl 3-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 51044911
2-cyano-3-(3,5-dibromo-2-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 3286378
(Z)-N-(4-chlorophenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CID 760976
2-cyano-N-(2-methyl-4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3134887
(E)-2-cyano-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 876651

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide (CID 20834788) is (Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1c[nH]c2ccccc12.
What is the InChIKey of (Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The InChIKey is LKHRMBMGCUNQAY-LCYFTJDESA-N. The full InChI is InChI=1S/C19H14N4O3/c1-12-8-15(23(25)26)6-7-17(12)22-19(24)13(10-20)9-14-11-21-18-5-3-2-4-16(14)18/h2-9,11,21H,1H3,(H,22,24)/b13-9-.
What are the key properties of (Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
(Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide has a molecular weight of 346.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 20834788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).