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

C13H15ClN4OS — CID 114923493

IUPAC5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCc2nc(C)cs2)c(Cl)cn1
InChIInChI=1S/C13H15ClN4OS/c1-8-7-20-12(18-8)3-4-16-13(19)9-5-11(15-2)17-6-10(9)14/h5-7H,3-4H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyUHVXOVRYFFIJIH-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.51
Rot. Bonds5

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

5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114923493) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID114923493
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCc2nc(C)cs2)c(Cl)cn1
InChIInChI=1S/C13H15ClN4OS/c1-8-7-20-12(18-8)3-4-16-13(19)9-5-11(15-2)17-6-10(9)14/h5-7H,3-4H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyUHVXOVRYFFIJIH-UHFFFAOYSA-N
XLogP2.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-4-carboxamide
CID 114922853
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CID 106422895
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
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5-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 104641287
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106050087
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
CID 110467553
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238860
2-bromo-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 80979423
2-fluoro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (CID 114923493) is 5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is CNc1cc(C(=O)NCCc2nc(C)cs2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is UHVXOVRYFFIJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-8-7-20-12(18-8)3-4-16-13(19)9-5-11(15-2)17-6-10(9)14/h5-7H,3-4H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of 5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114923493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).