ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine

C29H37N3 — CID 143571661

IUPACethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine
SMILESC=C(C)CC1CCC(c2ccc(-c3ccc(Nc4ccc(C)cn4)cn3)cc2)CC1.CC
InChIInChI=1S/C27H31N3.C2H6/c1-19(2)16-21-5-7-22(8-6-21)23-9-11-24(12-10-23)26-14-13-25(18-28-26)30-27-15-4-20(3)17-29-27;1-2/h4,9-15,17-18,21-22H,1,5-8,16H2,2-3H3,(H,29,30);1-2H3
InChIKeyJHQWFXBVMWWBIC-UHFFFAOYSA-N
MW427.64 g/mol
LogP8.46
Rot. Bonds6

About ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine

ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine (PubChem CID 143571661) has the molecular formula C29H37N3 and a molecular weight of 427.64 g/mol. Its IUPAC name is ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Nameethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine
PubChem CID143571661
Molecular FormulaC29H37N3
Molecular Weight427.64 g/mol
Exact Mass427.30
IUPAC Nameethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine
SMILESC=C(C)CC1CCC(c2ccc(-c3ccc(Nc4ccc(C)cn4)cn3)cc2)CC1.CC
InChIInChI=1S/C27H31N3.C2H6/c1-19(2)16-21-5-7-22(8-6-21)23-9-11-24(12-10-23)26-14-13-25(18-28-26)30-27-15-4-20(3)17-29-27;1-2/h4,9-15,17-18,21-22H,1,5-8,16H2,2-3H3,(H,29,30);1-2H3
InChIKeyJHQWFXBVMWWBIC-UHFFFAOYSA-N
XLogP8.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.64
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine with MolForge

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Related Compounds

2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
CID 69106878
methyl 2-[4-[4-[5-[(5-cyclopropyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]phenyl]cyclohexyl]acetate
CID 24937147
2-[4-[4-[5-(1H-indol-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
CID 141352799
5-ethyl-2-[4-(4-ethylcyclohexyl)phenyl]pyridine
CID 3126265
2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
CID 118030645
methyl 2-[4-[4-(2-chloropyrimidin-5-yl)phenyl]cyclohexyl]acetate
CID 86634684
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-[4-[5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]phenyl]cyclohexyl]acetyl]oxyoxane-2-carboxylic acid
CID 119026208
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine
CID 5031623
[4-[4-(4-methylphenyl)phenyl]cyclohexyl]methylsilane
CID 123942923

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine?
The IUPAC name of ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine (CID 143571661) is ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine is C=C(C)CC1CCC(c2ccc(-c3ccc(Nc4ccc(C)cn4)cn3)cc2)CC1.CC.
What is the InChIKey of ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine?
The InChIKey is JHQWFXBVMWWBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3.C2H6/c1-19(2)16-21-5-7-22(8-6-21)23-9-11-24(12-10-23)26-14-13-25(18-28-26)30-27-15-4-20(3)17-29-27;1-2/h4,9-15,17-18,21-22H,1,5-8,16H2,2-3H3,(H,29,30);1-2H3.
What are the key properties of ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine?
ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine has a molecular weight of 427.64 g/mol, XLogP of 8.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 143571661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).