1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide

C16H18ClN5O2 — CID 45275881

IUPAC1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide
SMILESCOc1ncc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cn1
InChIInChI=1S/C16H18ClN5O2/c1-24-16-20-6-11(7-21-16)12-8-19-9-13(17)14(12)22-4-2-10(3-5-22)15(18)23/h6-10H,2-5H2,1H3,(H2,18,23)
InChIKeyVBVYKGUJTRXOSD-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide

1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 45275881) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide
PubChem CID45275881
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide
SMILESCOc1ncc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cn1
InChIInChI=1S/C16H18ClN5O2/c1-24-16-20-6-11(7-21-16)12-8-19-9-13(17)14(12)22-4-2-10(3-5-22)15(18)23/h6-10H,2-5H2,1H3,(H2,18,23)
InChIKeyVBVYKGUJTRXOSD-UHFFFAOYSA-N
XLogP1.90
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide (CID 45275881) is 1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide is COc1ncc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cn1.
What is the InChIKey of 1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is VBVYKGUJTRXOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-24-16-20-6-11(7-21-16)12-8-19-9-13(17)14(12)22-4-2-10(3-5-22)15(18)23/h6-10H,2-5H2,1H3,(H2,18,23).
What are the key properties of 1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide?
1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(2-methoxypyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 45275881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).