4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide

C12H15ClN2O3 — CID 104630550

IUPAC4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2O3/c13-9-1-4-14-10(7-9)11(17)15-12(8-16)2-5-18-6-3-12/h1,4,7,16H,2-3,5-6,8H2,(H,15,17)
InChIKeyFGJKSESFHIDQOY-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.01
Rot. Bonds3

About 4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide

4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide (PubChem CID 104630550) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
PubChem CID104630550
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2O3/c13-9-1-4-14-10(7-9)11(17)15-12(8-16)2-5-18-6-3-12/h1,4,7,16H,2-3,5-6,8H2,(H,15,17)
InChIKeyFGJKSESFHIDQOY-UHFFFAOYSA-N
XLogP1.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 158711552
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 139347861
N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide
CID 170994125
5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide
CID 114170033
4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyridine-2-carboxamide
CID 161450408
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
CID 104630360
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 103954232
4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide
CID 136524945
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide (CID 104630550) is 4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide is O=C(NC1(CO)CCOCC1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide?
The InChIKey is FGJKSESFHIDQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-9-1-4-14-10(7-9)11(17)15-12(8-16)2-5-18-6-3-12/h1,4,7,16H,2-3,5-6,8H2,(H,15,17).
What are the key properties of 4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide?
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 104630550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).