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

C17H20Cl2N6O — CID 67969299

IUPACN-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide
SMILESNc1cc(N2CCC[C@@H](NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)ncn1
InChIInChI=1S/C17H20Cl2N6O/c18-11-4-12(19)6-14(5-11)21-8-17(26)24-13-2-1-3-25(9-13)16-7-15(20)22-10-23-16/h4-7,10,13,21H,1-3,8-9H2,(H,24,26)(H2,20,22,23)/t13-/m1/s1
InChIKeyJTFHCFGUYUVQAI-CYBMUJFWSA-N
MW395.29 g/mol
LogP2.56
Rot. Bonds5

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

N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide (PubChem CID 67969299) has the molecular formula C17H20Cl2N6O and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide
PubChem CID67969299
Molecular FormulaC17H20Cl2N6O
Molecular Weight395.29 g/mol
Exact Mass394.11
IUPAC NameN-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide
SMILESNc1cc(N2CCC[C@@H](NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)ncn1
InChIInChI=1S/C17H20Cl2N6O/c18-11-4-12(19)6-14(5-11)21-8-17(26)24-13-2-1-3-25(9-13)16-7-15(20)22-10-23-16/h4-7,10,13,21H,1-3,8-9H2,(H,24,26)(H2,20,22,23)/t13-/m1/s1
InChIKeyJTFHCFGUYUVQAI-CYBMUJFWSA-N
XLogP2.56
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 1841807
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CID 44412870
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CID 44433471
CID 44433471
CID 51001247
CID 51001247
CID 67969384
CID 67969384
CID 68064279
CID 68064279
CID 68064526
CID 68064526
CID 974365
CID 974365
CID 44412577
CID 44412577
CID 44532869
CID 44532869
CID 71553085
CID 71553085
CID 71553087
CID 71553087

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide?
The IUPAC name of N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide (CID 67969299) is N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide.
What is the SMILES notation for N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide?
The canonical SMILES for N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide is Nc1cc(N2CCC[C@@H](NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)ncn1.
What is the InChIKey of N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide?
The InChIKey is JTFHCFGUYUVQAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20Cl2N6O/c18-11-4-12(19)6-14(5-11)21-8-17(26)24-13-2-1-3-25(9-13)16-7-15(20)22-10-23-16/h4-7,10,13,21H,1-3,8-9H2,(H,24,26)(H2,20,22,23)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide?
N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide has a molecular weight of 395.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2-(3,5-dichloroanilino)acetamide is sourced from PubChem (CID 67969299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).