5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide

C13H15ClN4OS — CID 114923155

IUPAC5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2nc(C)c(C)s2)c(Cl)cn1
InChIInChI=1S/C13H15ClN4OS/c1-4-15-11-5-9(10(14)6-16-11)12(19)18-13-17-7(2)8(3)20-13/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18,19)
InChIKeyOGQRVMOZZPDPPD-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.49
Rot. Bonds4

About 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide

5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide (PubChem CID 114923155) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide
PubChem CID114923155
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2nc(C)c(C)s2)c(Cl)cn1
InChIInChI=1S/C13H15ClN4OS/c1-4-15-11-5-9(10(14)6-16-11)12(19)18-13-17-7(2)8(3)20-13/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18,19)
InChIKeyOGQRVMOZZPDPPD-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114923156
5-chloro-N-(2,6-dimethyl-3-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114924077
5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114923893
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107024982
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62178330
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 81226435
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114922085
5-chloro-2-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 114924532
5-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 107375321
5-chloro-N-(2,4-dibromophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923151
5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106050087

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide (CID 114923155) is 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)Nc2nc(C)c(C)s2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide?
The InChIKey is OGQRVMOZZPDPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-4-15-11-5-9(10(14)6-16-11)12(19)18-13-17-7(2)8(3)20-13/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18,19).
What are the key properties of 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide?
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).