2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide

C19H24Cl2N6O — CID 67066791

IUPAC2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide
SMILESCCNc1cc(N2CCCC(NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)ncn1
InChIInChI=1S/C19H24Cl2N6O/c1-2-22-17-9-18(25-12-24-17)27-5-3-4-15(11-27)26-19(28)10-23-16-7-13(20)6-14(21)8-16/h6-9,12,15,23H,2-5,10-11H2,1H3,(H,26,28)(H,22,24,25)
InChIKeyNNSJLRRXZBMXFP-UHFFFAOYSA-N
MW423.35 g/mol
LogP3.41
Rot. Bonds7

About 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide

2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide (PubChem CID 67066791) has the molecular formula C19H24Cl2N6O and a molecular weight of 423.35 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide
PubChem CID67066791
Molecular FormulaC19H24Cl2N6O
Molecular Weight423.35 g/mol
Exact Mass422.14
IUPAC Name2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide
SMILESCCNc1cc(N2CCCC(NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)ncn1
InChIInChI=1S/C19H24Cl2N6O/c1-2-22-17-9-18(25-12-24-17)27-5-3-4-15(11-27)26-19(28)10-23-16-7-13(20)6-14(21)8-16/h6-9,12,15,23H,2-5,10-11H2,1H3,(H,26,28)(H,22,24,25)
InChIKeyNNSJLRRXZBMXFP-UHFFFAOYSA-N
XLogP3.41
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide 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

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
2-(3-chloro-5-fluoroanilino)-N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 124564697
N-[(3R)-1,1-dioxothiolan-3-yl]-3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95103101
N-[(4-chlorophenyl)methyl]-3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95103026
N-(1-benzylpiperidin-4-yl)-3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102969
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide
CID 71996611
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
tert-butyl N-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 86331531
3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 95102979
3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide
CID 95102952

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide (CID 67066791) is 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide is CCNc1cc(N2CCCC(NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)ncn1.
What is the InChIKey of 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide?
The InChIKey is NNSJLRRXZBMXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N6O/c1-2-22-17-9-18(25-12-24-17)27-5-3-4-15(11-27)26-19(28)10-23-16-7-13(20)6-14(21)8-16/h6-9,12,15,23H,2-5,10-11H2,1H3,(H,26,28)(H,22,24,25).
What are the key properties of 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide?
2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide has a molecular weight of 423.35 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 67066791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).