benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate

C23H22N4O3 — CID 58011155

IUPACbenzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate
SMILESC[C@H](Cc1ccc(-n2c(=O)[nH]c3cccnc32)cc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H22N4O3/c1-16(25-23(29)30-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)27-21-20(26-22(27)28)8-5-13-24-21/h2-13,16H,14-15H2,1H3,(H,25,29)(H,26,28)/t16-/m1/s1
InChIKeyAKCCIVNNFXYMCY-MRXNPFEDSA-N
MW402.45 g/mol
LogP3.57
Rot. Bonds6

About benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate

benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate (PubChem CID 58011155) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate
PubChem CID58011155
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Namebenzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate
SMILESC[C@H](Cc1ccc(-n2c(=O)[nH]c3cccnc32)cc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H22N4O3/c1-16(25-23(29)30-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)27-21-20(26-22(27)28)8-5-13-24-21/h2-13,16H,14-15H2,1H3,(H,25,29)(H,26,28)/t16-/m1/s1
InChIKeyAKCCIVNNFXYMCY-MRXNPFEDSA-N
XLogP3.57
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
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benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate
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benzyl N-[1-(1H-imidazol-2-yl)-3-methylbutan-2-yl]carbamate
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benzyl N-(3-oxobutan-2-yl)carbamate
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benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
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benzyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-phenyl-4-(triazolo[4,5-b]pyridin-1-yloxy)butan-2-yl]amino]pentan-2-yl]carbamate
CID 22859379
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
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benzyl N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]carbamate
CID 59064326
methyl 3-oxo-5-(phenylmethoxycarbonylamino)hexanoate
CID 155487185

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate (CID 58011155) is benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate is C[C@H](Cc1ccc(-n2c(=O)[nH]c3cccnc32)cc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate?
The InChIKey is AKCCIVNNFXYMCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-16(25-23(29)30-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)27-21-20(26-22(27)28)8-5-13-24-21/h2-13,16H,14-15H2,1H3,(H,25,29)(H,26,28)/t16-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate?
benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate has a molecular weight of 402.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 58011155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).