4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide

C28H29Cl2N5O3 — CID 66799026

IUPAC4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1ccc(Cl)cc1Cl)CCO2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C28H29Cl2N5O3/c1-34(20-8-13-35(14-9-20)21-6-11-31-12-7-21)27(36)18-2-5-26-22(16-18)24(10-15-38-26)32-28(37)33-25-4-3-19(29)17-23(25)30/h2-7,11-12,16-17,20,24H,8-10,13-15H2,1H3,(H2,32,33,37)
InChIKeyHQHMYAMNUGCQJC-UHFFFAOYSA-N
MW554.48 g/mol
LogP5.77
Rot. Bonds5

About 4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide

4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 66799026) has the molecular formula C28H29Cl2N5O3 and a molecular weight of 554.48 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID66799026
Molecular FormulaC28H29Cl2N5O3
Molecular Weight554.48 g/mol
Exact Mass553.16
IUPAC Name4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1ccc(Cl)cc1Cl)CCO2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C28H29Cl2N5O3/c1-34(20-8-13-35(14-9-20)21-6-11-31-12-7-21)27(36)18-2-5-26-22(16-18)24(10-15-38-26)32-28(37)33-25-4-3-19(29)17-23(25)30/h2-7,11-12,16-17,20,24H,8-10,13-15H2,1H3,(H2,32,33,37)
InChIKeyHQHMYAMNUGCQJC-UHFFFAOYSA-N
XLogP5.77
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.48
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide 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-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of 4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide (CID 66799026) is 4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for 4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide is CN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1ccc(Cl)cc1Cl)CCO2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is HQHMYAMNUGCQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N5O3/c1-34(20-8-13-35(14-9-20)21-6-11-31-12-7-21)27(36)18-2-5-26-22(16-18)24(10-15-38-26)32-28(37)33-25-4-3-19(29)17-23(25)30/h2-7,11-12,16-17,20,24H,8-10,13-15H2,1H3,(H2,32,33,37).
What are the key properties of 4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 554.48 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 66799026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).