1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

C18H21ClFN5O — CID 51119698

IUPAC1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESNc1nc(Cl)cc(N2CCC(C(=O)NCCc3ccccc3F)CC2)n1
InChIInChI=1S/C18H21ClFN5O/c19-15-11-16(24-18(21)23-15)25-9-6-13(7-10-25)17(26)22-8-5-12-3-1-2-4-14(12)20/h1-4,11,13H,5-10H2,(H,22,26)(H2,21,23,24)
InChIKeyNKJBUFJWCCQWAC-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.43
Rot. Bonds5

About 1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 51119698) has the molecular formula C18H21ClFN5O and a molecular weight of 377.85 g/mol. Its IUPAC name is 1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID51119698
Molecular FormulaC18H21ClFN5O
Molecular Weight377.85 g/mol
Exact Mass377.14
IUPAC Name1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESNc1nc(Cl)cc(N2CCC(C(=O)NCCc3ccccc3F)CC2)n1
InChIInChI=1S/C18H21ClFN5O/c19-15-11-16(24-18(21)23-15)25-9-6-13(7-10-25)17(26)22-8-5-12-3-1-2-4-14(12)20/h1-4,11,13H,5-10H2,(H,22,26)(H2,21,23,24)
InChIKeyNKJBUFJWCCQWAC-UHFFFAOYSA-N
XLogP2.43
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 650826
1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779052
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 47057526
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113190969

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 51119698) is 1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is Nc1nc(Cl)cc(N2CCC(C(=O)NCCc3ccccc3F)CC2)n1.
What is the InChIKey of 1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is NKJBUFJWCCQWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN5O/c19-15-11-16(24-18(21)23-15)25-9-6-13(7-10-25)17(26)22-8-5-12-3-1-2-4-14(12)20/h1-4,11,13H,5-10H2,(H,22,26)(H2,21,23,24).
What are the key properties of 1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 377.85 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloropyrimidin-4-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 51119698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).