N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide

C16H15ClF3N5O — CID 175649491

IUPACN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cnccn1
InChIInChI=1S/C16H15ClF3N5O/c17-12-6-10(16(18,19)20)7-23-14(12)25-5-1-2-11(9-25)24-15(26)13-8-21-3-4-22-13/h3-4,6-8,11H,1-2,5,9H2,(H,24,26)
InChIKeySGYMSMIYWOAXHD-UHFFFAOYSA-N
MW385.78 g/mol
LogP2.94
Rot. Bonds3

About N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 175649491) has the molecular formula C16H15ClF3N5O and a molecular weight of 385.78 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID175649491
Molecular FormulaC16H15ClF3N5O
Molecular Weight385.78 g/mol
Exact Mass385.09
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cnccn1
InChIInChI=1S/C16H15ClF3N5O/c17-12-6-10(16(18,19)20)7-23-14(12)25-5-1-2-11(9-25)24-15(26)13-8-21-3-4-22-13/h3-4,6-8,11H,1-2,5,9H2,(H,24,26)
InChIKeySGYMSMIYWOAXHD-UHFFFAOYSA-N
XLogP2.94
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide (CID 175649491) is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide is O=C(NC1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cnccn1.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is SGYMSMIYWOAXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N5O/c17-12-6-10(16(18,19)20)7-23-14(12)25-5-1-2-11(9-25)24-15(26)13-8-21-3-4-22-13/h3-4,6-8,11H,1-2,5,9H2,(H,24,26).
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide?
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 385.78 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 175649491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).