4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide

C26H28ClN5O4 — CID 146295607

IUPAC4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
SMILESCC1COCCN1C(=O)c1cccc(Nc2ccc(C(=O)NC3=NCCC(=O)N3)cc2C2CC2)c1Cl
InChIInChI=1S/C26H28ClN5O4/c1-15-14-36-12-11-32(15)25(35)18-3-2-4-21(23(18)27)29-20-8-7-17(13-19(20)16-5-6-16)24(34)31-26-28-10-9-22(33)30-26/h2-4,7-8,13,15-16,29H,5-6,9-12,14H2,1H3,(H2,28,30,31,33,34)
InChIKeyRGBOVFCNNSTTNT-UHFFFAOYSA-N
MW509.99 g/mol
LogP3.43
Rot. Bonds5

About 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide

4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide (PubChem CID 146295607) has the molecular formula C26H28ClN5O4 and a molecular weight of 509.99 g/mol. Its IUPAC name is 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
PubChem CID146295607
Molecular FormulaC26H28ClN5O4
Molecular Weight509.99 g/mol
Exact Mass509.18
IUPAC Name4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
SMILESCC1COCCN1C(=O)c1cccc(Nc2ccc(C(=O)NC3=NCCC(=O)N3)cc2C2CC2)c1Cl
InChIInChI=1S/C26H28ClN5O4/c1-15-14-36-12-11-32(15)25(35)18-3-2-4-21(23(18)27)29-20-8-7-17(13-19(20)16-5-6-16)24(34)31-26-28-10-9-22(33)30-26/h2-4,7-8,13,15-16,29H,5-6,9-12,14H2,1H3,(H2,28,30,31,33,34)
InChIKeyRGBOVFCNNSTTNT-UHFFFAOYSA-N
XLogP3.43
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.99
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
The IUPAC name of 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide (CID 146295607) is 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide is CC1COCCN1C(=O)c1cccc(Nc2ccc(C(=O)NC3=NCCC(=O)N3)cc2C2CC2)c1Cl.
What is the InChIKey of 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
The InChIKey is RGBOVFCNNSTTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O4/c1-15-14-36-12-11-32(15)25(35)18-3-2-4-21(23(18)27)29-20-8-7-17(13-19(20)16-5-6-16)24(34)31-26-28-10-9-22(33)30-26/h2-4,7-8,13,15-16,29H,5-6,9-12,14H2,1H3,(H2,28,30,31,33,34).
What are the key properties of 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide has a molecular weight of 509.99 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-(3-methylmorpholine-4-carbonyl)anilino]-3-cyclopropyl-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide is sourced from PubChem (CID 146295607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).