ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate

C26H32N4O2 — CID 110179281

IUPACethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(Cc2ccccc2)c2ccc(C)cc2)nc1NC(C)C
InChIInChI=1S/C26H32N4O2/c1-5-32-26(31)29-22-15-16-24(30-25(22)27-18(2)3)28-23(17-20-9-7-6-8-10-20)21-13-11-19(4)12-14-21/h6-16,18,23H,5,17H2,1-4H3,(H,29,31)(H2,27,28,30)
InChIKeyZTXSEYDKHRIFKV-UHFFFAOYSA-N
MW432.57 g/mol
LogP6.17
Rot. Bonds9

About ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate

ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate (PubChem CID 110179281) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate
PubChem CID110179281
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Nameethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(Cc2ccccc2)c2ccc(C)cc2)nc1NC(C)C
InChIInChI=1S/C26H32N4O2/c1-5-32-26(31)29-22-15-16-24(30-25(22)27-18(2)3)28-23(17-20-9-7-6-8-10-20)21-13-11-19(4)12-14-21/h6-16,18,23H,5,17H2,1-4H3,(H,29,31)(H2,27,28,30)
InChIKeyZTXSEYDKHRIFKV-UHFFFAOYSA-N
XLogP6.17
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-amino-6-[[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]amino]pyridin-1-ium-3-yl]carbamate chloride
CID 136821515
ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
CID 110179116
ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate
CID 110179360
ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate
CID 71322891
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
ethyl N-[2-[1-(1-benzylindol-3-yl)propan-2-ylamino]-6-methoxy-3-pyridinyl]carbamate
CID 67761076
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate
CID 110356214
ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate
CID 110179026
ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
CID 113011907
1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride
CID 54605176

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate (CID 110179281) is ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NC(Cc2ccccc2)c2ccc(C)cc2)nc1NC(C)C.
What is the InChIKey of ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate?
The InChIKey is ZTXSEYDKHRIFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-5-32-26(31)29-22-15-16-24(30-25(22)27-18(2)3)28-23(17-20-9-7-6-8-10-20)21-13-11-19(4)12-14-21/h6-16,18,23H,5,17H2,1-4H3,(H,29,31)(H2,27,28,30).
What are the key properties of ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate?
ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate has a molecular weight of 432.57 g/mol, XLogP of 6.17, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 110179281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).