N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide

C26H29N5O7 — CID 3044721

IUPACN-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1cc(-c2nc(CC(=O)NO)cc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C26H29N5O7/c1-35-20-12-17(13-21(36-2)24(20)37-3)25-28-19(15-23(32)30-34)14-22(29-25)27-18-6-4-16(5-7-18)26(33)31-8-10-38-11-9-31/h4-7,12-14,34H,8-11,15H2,1-3H3,(H,30,32)(H,27,28,29)
InChIKeyRFTVJTVXZYPBSQ-UHFFFAOYSA-N
MW523.55 g/mol
LogP2.43
Rot. Bonds9

About N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide

N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide (PubChem CID 3044721) has the molecular formula C26H29N5O7 and a molecular weight of 523.55 g/mol. Its IUPAC name is N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
PubChem CID3044721
Molecular FormulaC26H29N5O7
Molecular Weight523.55 g/mol
Exact Mass523.21
IUPAC NameN-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1cc(-c2nc(CC(=O)NO)cc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C26H29N5O7/c1-35-20-12-17(13-21(36-2)24(20)37-3)25-28-19(15-23(32)30-34)14-22(29-25)27-18-6-4-16(5-7-18)26(33)31-8-10-38-11-9-31/h4-7,12-14,34H,8-11,15H2,1-3H3,(H,30,32)(H,27,28,29)
InChIKeyRFTVJTVXZYPBSQ-UHFFFAOYSA-N
XLogP2.43
TPSA144.37 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.55
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide (CID 3044721) is N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide is COc1cc(-c2nc(CC(=O)NO)cc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cc(OC)c1OC.
What is the InChIKey of N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
The InChIKey is RFTVJTVXZYPBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O7/c1-35-20-12-17(13-21(36-2)24(20)37-3)25-28-19(15-23(32)30-34)14-22(29-25)27-18-6-4-16(5-7-18)26(33)31-8-10-38-11-9-31/h4-7,12-14,34H,8-11,15H2,1-3H3,(H,30,32)(H,27,28,29).
What are the key properties of N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide has a molecular weight of 523.55 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 3044721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).