2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine

C32H37N3 — CID 123876317

IUPAC2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine
SMILESCCCc1cc(-c2ccccc2)cc(CCC)c1-c1ccc(NC(C)C)c(Nc2ccccc2)n1
InChIInChI=1S/C32H37N3/c1-5-13-25-21-27(24-15-9-7-10-16-24)22-26(14-6-2)31(25)29-19-20-30(33-23(3)4)32(35-29)34-28-17-11-8-12-18-28/h7-12,15-23,33H,5-6,13-14H2,1-4H3,(H,34,35)
InChIKeyQTMAMLIIMDDGFI-UHFFFAOYSA-N
MW463.67 g/mol
LogP8.88
Rot. Bonds10

About 2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine

2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine (PubChem CID 123876317) has the molecular formula C32H37N3 and a molecular weight of 463.67 g/mol. Its IUPAC name is 2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine
PubChem CID123876317
Molecular FormulaC32H37N3
Molecular Weight463.67 g/mol
Exact Mass463.30
IUPAC Name2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine
SMILESCCCc1cc(-c2ccccc2)cc(CCC)c1-c1ccc(NC(C)C)c(Nc2ccccc2)n1
InChIInChI=1S/C32H37N3/c1-5-13-25-21-27(24-15-9-7-10-16-24)22-26(14-6-2)31(25)29-19-20-30(33-23(3)4)32(35-29)34-28-17-11-8-12-18-28/h7-12,15-23,33H,5-6,13-14H2,1-4H3,(H,34,35)
InChIKeyQTMAMLIIMDDGFI-UHFFFAOYSA-N
XLogP8.88
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.67
LogP ≤ 58.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-methylquinolin-2-amine
CID 777799
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CID 71304801
6-(2-{5-Fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
CID 134686798
6-Piperazin-1-yl-7,8,9,10-tetrahydro-phenanthridine
CID 399481
6-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 975769
10-Phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine
CID 46838672
6-(4-Methyl-piperazin-1-yl)-benzo[k]phenanthridine
CID 10381797
6-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)amino)methyl)-N-(2,3-dimethylphenyl)pyridin-2-amine
CID 21866580
4-(4-Methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine
CID 25129880
2-Benzyl-1-(6-benzyl-2-pyridinyl)guanidine
CID 44533049
N-benzyl-4-methylquinolin-2-amine
CID 273577
6-Piperazin-1-yl-benzo[k]phenanthridine
CID 10041280

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine?
The IUPAC name of 2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine (CID 123876317) is 2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine?
The canonical SMILES for 2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine is CCCc1cc(-c2ccccc2)cc(CCC)c1-c1ccc(NC(C)C)c(Nc2ccccc2)n1.
What is the InChIKey of 2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine?
The InChIKey is QTMAMLIIMDDGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3/c1-5-13-25-21-27(24-15-9-7-10-16-24)22-26(14-6-2)31(25)29-19-20-30(33-23(3)4)32(35-29)34-28-17-11-8-12-18-28/h7-12,15-23,33H,5-6,13-14H2,1-4H3,(H,34,35).
What are the key properties of 2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine?
2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine has a molecular weight of 463.67 g/mol, XLogP of 8.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-6-(4-phenyl-2,6-dipropylphenyl)-3-N-propan-2-ylpyridine-2,3-diamine is sourced from PubChem (CID 123876317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).