N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide

C27H25N5O2 — CID 44595113

IUPACN-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
SMILESNc1ncccc1NC(=O)c1ccc(CNC(=O)NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H25N5O2/c28-25-24(7-4-16-29-25)32-26(33)23-14-10-20(11-15-23)18-31-27(34)30-17-19-8-12-22(13-9-19)21-5-2-1-3-6-21/h1-16H,17-18H2,(H2,28,29)(H,32,33)(H2,30,31,34)
InChIKeyOTUVKQIMRMBPJS-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.58
Rot. Bonds7

About N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide

N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide (PubChem CID 44595113) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
PubChem CID44595113
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC NameN-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
SMILESNc1ncccc1NC(=O)c1ccc(CNC(=O)NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H25N5O2/c28-25-24(7-4-16-29-25)32-26(33)23-14-10-20(11-15-23)18-31-27(34)30-17-19-8-12-22(13-9-19)21-5-2-1-3-6-21/h1-16H,17-18H2,(H2,28,29)(H,32,33)(H2,30,31,34)
InChIKeyOTUVKQIMRMBPJS-UHFFFAOYSA-N
XLogP4.58
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-pyridinyl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594967
N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
CID 67078760
N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide
CID 44594255
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide
CID 67078852
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-amino-3-pyridinyl)-4-[[3-(4-nitrophenyl)prop-2-enoylamino]methyl]benzamide
CID 67078369
4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
CID 118046170
N-(2-amino-3-pyridinyl)-4-[[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]methyl]benzamide
CID 67078706
4-(1,8-naphthyridin-2-yl)-N-[(4-phenylphenyl)methyl]benzamide
CID 71449507
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide?
The IUPAC name of N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide (CID 44595113) is N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide?
The canonical SMILES for N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide is Nc1ncccc1NC(=O)c1ccc(CNC(=O)NCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide?
The InChIKey is OTUVKQIMRMBPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c28-25-24(7-4-16-29-25)32-26(33)23-14-10-20(11-15-23)18-31-27(34)30-17-19-8-12-22(13-9-19)21-5-2-1-3-6-21/h1-16H,17-18H2,(H2,28,29)(H,32,33)(H2,30,31,34).
What are the key properties of N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide?
N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide has a molecular weight of 451.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide is sourced from PubChem (CID 44595113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).