(E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide

C30H32N6O — CID 60609193

IUPAC(E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide
SMILESCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C30H32N6O/c1-34(27-15-20-35(21-16-27)19-14-26-9-5-6-18-32-26)29(37)13-12-25-23-36(28-10-3-2-4-11-28)33-30(25)24-8-7-17-31-22-24/h2-13,17-18,22-23,27H,14-16,19-21H2,1H3/b13-12+
InChIKeyLXCNHNDTBCCUAN-OUKQBFOZSA-N
MW492.63 g/mol
LogP4.51
Rot. Bonds8

About (E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide

(E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide (PubChem CID 60609193) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is (E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide
PubChem CID60609193
Molecular FormulaC30H32N6O
Molecular Weight492.63 g/mol
Exact Mass492.26
IUPAC Name(E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide
SMILESCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C30H32N6O/c1-34(27-15-20-35(21-16-27)19-14-26-9-5-6-18-32-26)29(37)13-12-25-23-36(28-10-3-2-4-11-28)33-30(25)24-8-7-17-31-22-24/h2-13,17-18,22-23,27H,14-16,19-21H2,1H3/b13-12+
InChIKeyLXCNHNDTBCCUAN-OUKQBFOZSA-N
XLogP4.51
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 4784426
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 9167966
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 76878807
(E)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 86883149
(E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 35744788
3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770992
(E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide
CID 9479636
(E)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 166379826
(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 31716696
1-(4-phenylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 2876111
(E)-N-benzyl-N-(2-methoxyethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 46555018
(E)-N-tert-butyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 78777734

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide (CID 60609193) is (E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide is CN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of (E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is LXCNHNDTBCCUAN-OUKQBFOZSA-N. The full InChI is InChI=1S/C30H32N6O/c1-34(27-15-20-35(21-16-27)19-14-26-9-5-6-18-32-26)29(37)13-12-25-23-36(28-10-3-2-4-11-28)33-30(25)24-8-7-17-31-22-24/h2-13,17-18,22-23,27H,14-16,19-21H2,1H3/b13-12+.
What are the key properties of (E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide?
(E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 492.63 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 60609193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).