N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide

C19H19N3O — CID 67697276

IUPACN-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)C=Cc2cn(C)c3ccccc23)c1
InChIInChI=1S/C19H19N3O/c1-13-10-14(2)20-18(11-13)21-19(23)9-8-15-12-22(3)17-7-5-4-6-16(15)17/h4-12H,1-3H3,(H,20,21,23)
InChIKeyIMERSRPCIQUVJM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.84
Rot. Bonds3

About N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide

N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide (PubChem CID 67697276) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide
PubChem CID67697276
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)C=Cc2cn(C)c3ccccc23)c1
InChIInChI=1S/C19H19N3O/c1-13-10-14(2)20-18(11-13)21-19(23)9-8-15-12-22(3)17-7-5-4-6-16(15)17/h4-12H,1-3H3,(H,20,21,23)
InChIKeyIMERSRPCIQUVJM-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
CID 3439581
(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 736407
ethane;(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 144546894
(Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide
CID 97377835
3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
CID 896291
(E)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359986
(E)-N-[2-hydroxy-3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359938
(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359613
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 71863555
(E)-N-[2-hydroxy-3-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359996
(Z)-1-(4-bromophenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 34882734
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide
CID 110002949

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide (CID 67697276) is N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide is Cc1cc(C)nc(NC(=O)C=Cc2cn(C)c3ccccc23)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide?
The InChIKey is IMERSRPCIQUVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-10-14(2)20-18(11-13)21-19(23)9-8-15-12-22(3)17-7-5-4-6-16(15)17/h4-12H,1-3H3,(H,20,21,23).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide?
N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide has a molecular weight of 305.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide is sourced from PubChem (CID 67697276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).