ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate

C22H24N4O3 — CID 110179116

IUPACethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(c2ccccc2)C(O)c2ccccc2)nc1N
InChIInChI=1S/C22H24N4O3/c1-2-29-22(28)24-17-13-14-18(26-21(17)23)25-19(15-9-5-3-6-10-15)20(27)16-11-7-4-8-12-16/h3-14,19-20,27H,2H2,1H3,(H,24,28)(H3,23,25,26)
InChIKeyGJXUHNFIPQAYOZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.12
Rot. Bonds7

About ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate (PubChem CID 110179116) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
PubChem CID110179116
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Nameethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(c2ccccc2)C(O)c2ccccc2)nc1N
InChIInChI=1S/C22H24N4O3/c1-2-29-22(28)24-17-13-14-18(26-21(17)23)25-19(15-9-5-3-6-10-15)20(27)16-11-7-4-8-12-16/h3-14,19-20,27H,2H2,1H3,(H,24,28)(H3,23,25,26)
InChIKeyGJXUHNFIPQAYOZ-UHFFFAOYSA-N
XLogP4.12
TPSA109.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[6-amino-4-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-5-nitro-2-pyridinyl]carbamate
CID 5270473
ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate
CID 110179360
ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate
CID 110179492
ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
CID 110178948
ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261324
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
ethyl N-[6-amino-4-[amino(benzhydryl)amino]-5-nitro-2-pyridinyl]carbamate
CID 59312488
ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate
CID 71322891
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[2-amino-6-[(2,4-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261304
ethyl N-[6-[[1-(4-methylphenyl)-2-phenylethyl]amino]-2-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 110179281
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate (CID 110179116) is ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NC(c2ccccc2)C(O)c2ccccc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate?
The InChIKey is GJXUHNFIPQAYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-29-22(28)24-17-13-14-18(26-21(17)23)25-19(15-9-5-3-6-10-15)20(27)16-11-7-4-8-12-16/h3-14,19-20,27H,2H2,1H3,(H,24,28)(H3,23,25,26).
What are the key properties of ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate has a molecular weight of 392.46 g/mol, XLogP of 4.12, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110179116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).