5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

C17H18ClN3O3 — CID 91792562

IUPAC5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1cncc(C(NC(=O)c2cncc(Cl)c2)C2CC(O)C2)c1
InChIInChI=1S/C17H18ClN3O3/c1-24-15-5-11(6-20-9-15)16(10-3-14(22)4-10)21-17(23)12-2-13(18)8-19-7-12/h2,5-10,14,16,22H,3-4H2,1H3,(H,21,23)
InChIKeyFRRMHAQUORYZIU-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.38
Rot. Bonds5

About 5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 91792562) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID91792562
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1cncc(C(NC(=O)c2cncc(Cl)c2)C2CC(O)C2)c1
InChIInChI=1S/C17H18ClN3O3/c1-24-15-5-11(6-20-9-15)16(10-3-14(22)4-10)21-17(23)12-2-13(18)8-19-7-12/h2,5-10,14,16,22H,3-4H2,1H3,(H,21,23)
InChIKeyFRRMHAQUORYZIU-UHFFFAOYSA-N
XLogP2.38
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 91792562) is 5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is COc1cncc(C(NC(=O)c2cncc(Cl)c2)C2CC(O)C2)c1.
What is the InChIKey of 5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is FRRMHAQUORYZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-24-15-5-11(6-20-9-15)16(10-3-14(22)4-10)21-17(23)12-2-13(18)8-19-7-12/h2,5-10,14,16,22H,3-4H2,1H3,(H,21,23).
What are the key properties of 5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91792562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).