5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide

C13H18ClN3O2 — CID 114923616

IUPAC5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2CCOCC2)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O2/c1-15-12-6-10(11(14)8-16-12)13(18)17-7-9-2-4-19-5-3-9/h6,8-9H,2-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyJTSNLGZJFDKRLB-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.93
Rot. Bonds4

About 5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide

5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 114923616) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
PubChem CID114923616
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2CCOCC2)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O2/c1-15-12-6-10(11(14)8-16-12)13(18)17-7-9-2-4-19-5-3-9/h6,8-9H,2-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyJTSNLGZJFDKRLB-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

5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114923351
5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923612
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924792
5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 114924748
5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
CID 114923292
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide (CID 114923616) is 5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCC2CCOCC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is JTSNLGZJFDKRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-15-12-6-10(11(14)8-16-12)13(18)17-7-9-2-4-19-5-3-9/h6,8-9H,2-5,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114923616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).