4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide

C32H34N4O5 — CID 70243026

IUPAC4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide
SMILESNc1cc(CCC(NC(=O)C(c2ccc(O)cc2)c2ccc(O)cc2)C(=O)NCc2ccc(CCO)cc2)ccn1
InChIInChI=1S/C32H34N4O5/c33-29-19-22(15-17-34-29)5-14-28(31(40)35-20-23-3-1-21(2-4-23)16-18-37)36-32(41)30(24-6-10-26(38)11-7-24)25-8-12-27(39)13-9-25/h1-4,6-13,15,17,19,28,30,37-39H,5,14,16,18,20H2,(H2,33,34)(H,35,40)(H,36,41)
InChIKeyAEHANPHEFZTOKM-UHFFFAOYSA-N
MW554.65 g/mol
LogP3.18
Rot. Bonds12

About 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide

4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide (PubChem CID 70243026) has the molecular formula C32H34N4O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide
PubChem CID70243026
Molecular FormulaC32H34N4O5
Molecular Weight554.65 g/mol
Exact Mass554.25
IUPAC Name4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide
SMILESNc1cc(CCC(NC(=O)C(c2ccc(O)cc2)c2ccc(O)cc2)C(=O)NCc2ccc(CCO)cc2)ccn1
InChIInChI=1S/C32H34N4O5/c33-29-19-22(15-17-34-29)5-14-28(31(40)35-20-23-3-1-21(2-4-23)16-18-37)36-32(41)30(24-6-10-26(38)11-7-24)25-8-12-27(39)13-9-25/h1-4,6-13,15,17,19,28,30,37-39H,5,14,16,18,20H2,(H2,33,34)(H,35,40)(H,36,41)
InChIKeyAEHANPHEFZTOKM-UHFFFAOYSA-N
XLogP3.18
TPSA157.80 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 53.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide with MolForge

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Related Compounds

(2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide
CID 70241715
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-amino-N-[(2S)-1-[(2-amino-4-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide;dihydrochloride
CID 156653750
(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]-5-[(N'-propylcarbamimidoyl)amino]pentanamide
CID 44563342
(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 2666614
(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)-5-(diaminomethylideneamino)-N-[(4-hydroxyphenyl)methyl]-2-(4-phenylbutanoylamino)pentanamide
CID 70277936
(2R)-2-[[2-[3-(4-aminobutoxy)phenyl]-2-phenylacetyl]amino]-5-[[amino-(ethylcarbamoylamino)methylidene]amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 171639922
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 61148298

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide (CID 70243026) is 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide is Nc1cc(CCC(NC(=O)C(c2ccc(O)cc2)c2ccc(O)cc2)C(=O)NCc2ccc(CCO)cc2)ccn1.
What is the InChIKey of 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide?
The InChIKey is AEHANPHEFZTOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O5/c33-29-19-22(15-17-34-29)5-14-28(31(40)35-20-23-3-1-21(2-4-23)16-18-37)36-32(41)30(24-6-10-26(38)11-7-24)25-8-12-27(39)13-9-25/h1-4,6-13,15,17,19,28,30,37-39H,5,14,16,18,20H2,(H2,33,34)(H,35,40)(H,36,41).
What are the key properties of 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide?
4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide has a molecular weight of 554.65 g/mol, XLogP of 3.18, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]-N-[[4-(2-hydroxyethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 70243026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).