1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine

C30H30N4 — CID 142238726

IUPAC1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine
SMILESC=C(c1ccc(-c2ccccc2)cc1)C1CCCN(C2=NC(c3ccncc3)=CC(=C)N2C)C1
InChIInChI=1S/C30H30N4/c1-22-20-29(27-15-17-31-18-16-27)32-30(33(22)3)34-19-7-10-28(21-34)23(2)24-11-13-26(14-12-24)25-8-5-4-6-9-25/h4-6,8-9,11-18,20,28H,1-2,7,10,19,21H2,3H3
InChIKeyKVZNOYSEAGYNRV-UHFFFAOYSA-N
MW446.60 g/mol
LogP6.33
Rot. Bonds4

About 1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine

1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine (PubChem CID 142238726) has the molecular formula C30H30N4 and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine
PubChem CID142238726
Molecular FormulaC30H30N4
Molecular Weight446.60 g/mol
Exact Mass446.25
IUPAC Name1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine
SMILESC=C(c1ccc(-c2ccccc2)cc1)C1CCCN(C2=NC(c3ccncc3)=CC(=C)N2C)C1
InChIInChI=1S/C30H30N4/c1-22-20-29(27-15-17-31-18-16-27)32-30(33(22)3)34-19-7-10-28(21-34)23(2)24-11-13-26(14-12-24)25-8-5-4-6-9-25/h4-6,8-9,11-18,20,28H,1-2,7,10,19,21H2,3H3
InChIKeyKVZNOYSEAGYNRV-UHFFFAOYSA-N
XLogP6.33
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[1-(4-fluoro-2-methylphenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine
CID 142238721
2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine
CID 142238544
[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-3-yl]-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)methanone
CID 142238752
2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline
CID 142224109
1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
CID 142224056
3,4-dihydro-2H-quinolin-1-yl-[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 142238753
2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine
CID 142224010
3-chloro-N-[1-[1-[4-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]-1-methyl-6-methylidenepyrimidin-2-yl]piperidin-3-yl]ethenyl]aniline
CID 142238681
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070904
1-[2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxylic acid
CID 67620401

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine?
The IUPAC name of 1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine (CID 142238726) is 1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine.
What is the SMILES notation for 1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine?
The canonical SMILES for 1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine is C=C(c1ccc(-c2ccccc2)cc1)C1CCCN(C2=NC(c3ccncc3)=CC(=C)N2C)C1.
What is the InChIKey of 1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine?
The InChIKey is KVZNOYSEAGYNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4/c1-22-20-29(27-15-17-31-18-16-27)32-30(33(22)3)34-19-7-10-28(21-34)23(2)24-11-13-26(14-12-24)25-8-5-4-6-9-25/h4-6,8-9,11-18,20,28H,1-2,7,10,19,21H2,3H3.
What are the key properties of 1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine?
1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine has a molecular weight of 446.60 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine is sourced from PubChem (CID 142238726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).