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

C26H23N5O3 — CID 68723870

IUPAC[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
SMILESNc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CN(Cc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C26H23N5O3/c27-22-12-13-23(20-6-2-1-3-7-20)29-24(22)30-25(32)21-10-8-18(9-11-21)16-31(26(33)34)17-19-5-4-14-28-15-19/h1-15H,16-17,27H2,(H,33,34)(H,29,30,32)
InChIKeyZSBJJAKZTPQIQI-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.66
Rot. Bonds7

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

[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid (PubChem CID 68723870) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid.

Molecular Properties

Compound Name[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
PubChem CID68723870
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
SMILESNc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CN(Cc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C26H23N5O3/c27-22-12-13-23(20-6-2-1-3-7-20)29-24(22)30-25(32)21-10-8-18(9-11-21)16-31(26(33)34)17-19-5-4-14-28-15-19/h1-15H,16-17,27H2,(H,33,34)(H,29,30,32)
InChIKeyZSBJJAKZTPQIQI-UHFFFAOYSA-N
XLogP4.66
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-2-ylmethyl)carbamic acid
CID 68779859
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid
CID 68783766
N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide
CID 25153720
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 146525533
[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 67406525
N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide
CID 25153718
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
N-(3-amino-6-phenyl-2-pyridinyl)-4-[(2-methoxypropylamino)methyl]benzamide
CID 68727277
tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25150915
N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 25153925
pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25153921

Frequently Asked Questions

What is the IUPAC name of [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid?
The IUPAC name of [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid (CID 68723870) is [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid.
What is the SMILES notation for [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid?
The canonical SMILES for [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid is Nc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CN(Cc2cccnc2)C(=O)O)cc1.
What is the InChIKey of [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid?
The InChIKey is ZSBJJAKZTPQIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c27-22-12-13-23(20-6-2-1-3-7-20)29-24(22)30-25(32)21-10-8-18(9-11-21)16-31(26(33)34)17-19-5-4-14-28-15-19/h1-15H,16-17,27H2,(H,33,34)(H,29,30,32).
What are the key properties of [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid?
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid has a molecular weight of 453.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid is sourced from PubChem (CID 68723870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).