(2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide

C30H30N4O3 — CID 70241715

IUPAC(2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide
SMILESNc1cc(CC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)ccn1
InChIInChI=1S/C30H30N4O3/c31-27-19-21(17-18-32-27)13-16-26(29(36)33-20-22-11-14-25(35)15-12-22)34-30(37)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,14-15,17-19,26,28,35H,13,16,20H2,(H2,31,32)(H,33,36)(H,34,37)/t26-/m1/s1
InChIKeyKHROJOYISBILQW-AREMUKBSSA-N
MW494.60 g/mol
LogP3.94
Rot. Bonds10

About (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide

(2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide (PubChem CID 70241715) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide
PubChem CID70241715
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name(2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide
SMILESNc1cc(CC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)ccn1
InChIInChI=1S/C30H30N4O3/c31-27-19-21(17-18-32-27)13-16-26(29(36)33-20-22-11-14-25(35)15-12-22)34-30(37)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,14-15,17-19,26,28,35H,13,16,20H2,(H2,31,32)(H,33,36)(H,34,37)/t26-/m1/s1
InChIKeyKHROJOYISBILQW-AREMUKBSSA-N
XLogP3.94
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide with MolForge

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Related Compounds

4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide
CID 70243026
N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-methoxyphenyl)acetyl]amino]butanamide
CID 70242034
5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 70280373
(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 2666614
(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]-5-[(N'-propylcarbamimidoyl)amino]pentanamide
CID 44563342
(2R)-5-[[amino-[2-[(2,2-diphenylacetyl)amino]ethylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 162648914
methyl N-[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamate
CID 15338882
(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid
CID 70278068
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-2-phenylacetamide
CID 96927089
(2R)-2-amino-N-[(2S)-1-[(2-amino-4-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide;dihydrochloride
CID 156653750
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 69129765
(2R)-5-[[amino-(propanoylamino)methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
CID 25181111

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide?
The IUPAC name of (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide (CID 70241715) is (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide?
The canonical SMILES for (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide is Nc1cc(CC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)ccn1.
What is the InChIKey of (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide?
The InChIKey is KHROJOYISBILQW-AREMUKBSSA-N. The full InChI is InChI=1S/C30H30N4O3/c31-27-19-21(17-18-32-27)13-16-26(29(36)33-20-22-11-14-25(35)15-12-22)34-30(37)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,14-15,17-19,26,28,35H,13,16,20H2,(H2,31,32)(H,33,36)(H,34,37)/t26-/m1/s1.
What are the key properties of (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide?
(2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide has a molecular weight of 494.60 g/mol, XLogP of 3.94, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide is sourced from PubChem (CID 70241715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).