pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate

C26H23N5O3 — CID 25153921

IUPACpyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
SMILESNc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1
InChIInChI=1S/C26H23N5O3/c27-22-13-14-23(19-6-2-1-3-7-19)30-24(22)31-25(32)20-11-9-18(10-12-20)16-29-26(33)34-17-21-8-4-5-15-28-21/h1-15H,16-17,27H2,(H,29,33)(H,30,31,32)
InChIKeyMKMWYSCEVAWXKS-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.40
Rot. Bonds7

About pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate

pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 25153921) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID25153921
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Namepyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
SMILESNc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1
InChIInChI=1S/C26H23N5O3/c27-22-13-14-23(19-6-2-1-3-7-19)30-24(22)31-25(32)20-11-9-18(10-12-20)16-29-26(33)34-17-21-8-4-5-15-28-21/h1-15H,16-17,27H2,(H,29,33)(H,30,31,32)
InChIKeyMKMWYSCEVAWXKS-UHFFFAOYSA-N
XLogP4.40
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide
CID 25153718
tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25150915
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-2-ylmethyl)carbamic acid
CID 68779859
N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide
CID 25153720
N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 25153925
pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate
CID 59627339
N-(3-amino-6-phenyl-2-pyridinyl)-4-[(2-methoxypropylamino)methyl]benzamide
CID 68727277
benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
CID 66870491
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid
CID 68783766
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 68723870
pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
CID 102467936
N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide;methane;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 160960136

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate (CID 25153921) is pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate is Nc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1.
What is the InChIKey of pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is MKMWYSCEVAWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c27-22-13-14-23(19-6-2-1-3-7-19)30-24(22)31-25(32)20-11-9-18(10-12-20)16-29-26(33)34-17-21-8-4-5-15-28-21/h1-15H,16-17,27H2,(H,29,33)(H,30,31,32).
What are the key properties of pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 453.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 25153921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).