pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate

C25H28N4O3 — CID 156781163

IUPACpyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate
SMILESCCN(CC)c1ccccc1C(=O)Nc1ccc(CNC(=O)OCc2cccnc2)cc1
InChIInChI=1S/C25H28N4O3/c1-3-29(4-2)23-10-6-5-9-22(23)24(30)28-21-13-11-19(12-14-21)17-27-25(31)32-18-20-8-7-15-26-16-20/h5-16H,3-4,17-18H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyZUUQAKOVYDJLSE-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.61
Rot. Bonds9

About pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate

pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate (PubChem CID 156781163) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate
PubChem CID156781163
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Namepyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate
SMILESCCN(CC)c1ccccc1C(=O)Nc1ccc(CNC(=O)OCc2cccnc2)cc1
InChIInChI=1S/C25H28N4O3/c1-3-29(4-2)23-10-6-5-9-22(23)24(30)28-21-13-11-19(12-14-21)17-27-25(31)32-18-20-8-7-15-26-16-20/h5-16H,3-4,17-18H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyZUUQAKOVYDJLSE-UHFFFAOYSA-N
XLogP4.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate
CID 156781188
pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781175
pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
CID 10990261
pyridin-3-ylmethyl N-[[4-[[5-fluoro-2-[4-(2-methoxyethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781182
phosphoric acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67397836
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
pyridin-3-ylmethyl N-[[4-[3-(2-aminoanilino)-2-methyl-3-oxopropyl]phenyl]methyl]carbamate
CID 142222178
pyridin-3-ylmethyl N-[[4-[(2-amino-4-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 10572471
pyridin-3-ylmethyl N-butylcarbamate
CID 14002804
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate
CID 71185995
pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate
CID 142789354
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate?
The IUPAC name of pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate (CID 156781163) is pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate is CCN(CC)c1ccccc1C(=O)Nc1ccc(CNC(=O)OCc2cccnc2)cc1.
What is the InChIKey of pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate?
The InChIKey is ZUUQAKOVYDJLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-29(4-2)23-10-6-5-9-22(23)24(30)28-21-13-11-19(12-14-21)17-27-25(31)32-18-20-8-7-15-26-16-20/h5-16H,3-4,17-18H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate?
pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate is sourced from PubChem (CID 156781163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).