[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid

C23H24N4O3 — CID 68783766

IUPAC[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid
SMILESCC(C)N(Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1)C(=O)O
InChIInChI=1S/C23H24N4O3/c1-15(2)27(23(29)30)14-16-8-10-18(11-9-16)22(28)26-21-19(24)12-13-20(25-21)17-6-4-3-5-7-17/h3-13,15H,14,24H2,1-2H3,(H,29,30)(H,25,26,28)
InChIKeyRDCQZIUTBWGBBZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.47
Rot. Bonds6

About [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid

[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid (PubChem CID 68783766) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid
PubChem CID68783766
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid
SMILESCC(C)N(Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1)C(=O)O
InChIInChI=1S/C23H24N4O3/c1-15(2)27(23(29)30)14-16-8-10-18(11-9-16)22(28)26-21-19(24)12-13-20(25-21)17-6-4-3-5-7-17/h3-13,15H,14,24H2,1-2H3,(H,29,30)(H,25,26,28)
InChIKeyRDCQZIUTBWGBBZ-UHFFFAOYSA-N
XLogP4.47
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 68723870
[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-methoxypropylamino)methyl]benzamide
CID 68727277
N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 25153925
tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25150915
N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide
CID 25153720
N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 146525533
N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide
CID 25153718
pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25153921
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(3-amino-6-phenyl-2-pyridinyl)azetidine-1-carboxamide
CID 162464588
N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide
CID 126722801

Frequently Asked Questions

What is the IUPAC name of [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid?
The IUPAC name of [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid (CID 68783766) is [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid.
What is the SMILES notation for [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid?
The canonical SMILES for [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid is CC(C)N(Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1)C(=O)O.
What is the InChIKey of [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid?
The InChIKey is RDCQZIUTBWGBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15(2)27(23(29)30)14-16-8-10-18(11-9-16)22(28)26-21-19(24)12-13-20(25-21)17-6-4-3-5-7-17/h3-13,15H,14,24H2,1-2H3,(H,29,30)(H,25,26,28).
What are the key properties of [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid?
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid has a molecular weight of 404.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid is sourced from PubChem (CID 68783766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).