5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide

C13H18ClN3O2 — CID 114924748

IUPAC5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)C2CCOC2)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O2/c1-8(9-3-4-19-7-9)17-13(18)10-5-12(15-2)16-6-11(10)14/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMSQXUHGGPCBNAH-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.93
Rot. Bonds4

About 5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide

5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114924748) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID114924748
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)C2CCOC2)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O2/c1-8(9-3-4-19-7-9)17-13(18)10-5-12(15-2)16-6-11(10)14/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMSQXUHGGPCBNAH-UHFFFAOYSA-N
XLogP1.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 105060780
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114923351
5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923616
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 105387635
5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
CID 114923292
2,3-dichloro-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 107189551
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
5-chloro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923823
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide (CID 114924748) is 5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide is CNc1cc(C(=O)NC(C)C2CCOC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is MSQXUHGGPCBNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(9-3-4-19-7-9)17-13(18)10-5-12(15-2)16-6-11(10)14/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114924748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).