N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide

C35H30N8O4 — CID 143927359

IUPACN-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cn(-c3ncccn3)c(N)c2C#N)cc1.COc1ccc(NC(=O)c2cc3ccccc3c(N)c2O)cc1
InChIInChI=1S/C18H16N2O3.C17H14N6O/c1-23-13-8-6-12(7-9-13)20-18(22)15-10-11-4-2-3-5-14(11)16(19)17(15)21;1-11(24)22-13-5-3-12(4-6-13)15-10-23(16(19)14(15)9-18)17-20-7-2-8-21-17/h2-10,21H,19H2,1H3,(H,20,22);2-8,10H,19H2,1H3,(H,22,24)
InChIKeyQAKLAERVLMNZHV-UHFFFAOYSA-N
MW626.68 g/mol
LogP5.74
Rot. Bonds6

About N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide

N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 143927359) has the molecular formula C35H30N8O4 and a molecular weight of 626.68 g/mol. Its IUPAC name is N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID143927359
Molecular FormulaC35H30N8O4
Molecular Weight626.68 g/mol
Exact Mass626.24
IUPAC NameN-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cn(-c3ncccn3)c(N)c2C#N)cc1.COc1ccc(NC(=O)c2cc3ccccc3c(N)c2O)cc1
InChIInChI=1S/C18H16N2O3.C17H14N6O/c1-23-13-8-6-12(7-9-13)20-18(22)15-10-11-4-2-3-5-14(11)16(19)17(15)21;1-11(24)22-13-5-3-12(4-6-13)15-10-23(16(19)14(15)9-18)17-20-7-2-8-21-17/h2-10,21H,19H2,1H3,(H,20,22);2-8,10H,19H2,1H3,(H,22,24)
InChIKeyQAKLAERVLMNZHV-UHFFFAOYSA-N
XLogP5.74
TPSA194.20 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.68
LogP ≤ 55.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_no_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane
CID 143927342
4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 143927256
4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide;(E)-2-(methyliminomethyl)pent-2-enenitrile;(Z)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 143927355
N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 70924863
methyl 3-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 136635211
N-[4-(4-amino-5-cyano-6-methoxy-2-pyridinyl)phenyl]acetamide
CID 70924991
N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
CID 5153682
1-amino-3-[(4-methoxyanilino)methyl]naphthalen-2-ol;5-amino-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 143927348
N-[4-(2-amino-3-cyano-6-phenyl-4-pyridinyl)phenyl]acetamide
CID 3351971
N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 856313
methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate
CID 15783874
4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
CID 145215535

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide (CID 143927359) is N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide is CC(=O)Nc1ccc(-c2cn(-c3ncccn3)c(N)c2C#N)cc1.COc1ccc(NC(=O)c2cc3ccccc3c(N)c2O)cc1.
What is the InChIKey of N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is QAKLAERVLMNZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3.C17H14N6O/c1-23-13-8-6-12(7-9-13)20-18(22)15-10-11-4-2-3-5-14(11)16(19)17(15)21;1-11(24)22-13-5-3-12(4-6-13)15-10-23(16(19)14(15)9-18)17-20-7-2-8-21-17/h2-10,21H,19H2,1H3,(H,20,22);2-8,10H,19H2,1H3,(H,22,24).
What are the key properties of N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 626.68 g/mol, XLogP of 5.74, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 143927359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).