2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide

C14H17ClN4OS — CID 115679300

IUPAC2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2cc(Cl)nc(NC)c2)s1
InChIInChI=1S/C14H17ClN4OS/c1-4-10-7-17-14(21-10)8(2)18-13(20)9-5-11(15)19-12(6-9)16-3/h5-8H,4H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyDNHNYPCWNGLYQQ-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.29
Rot. Bonds5

About 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide (PubChem CID 115679300) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide
PubChem CID115679300
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2cc(Cl)nc(NC)c2)s1
InChIInChI=1S/C14H17ClN4OS/c1-4-10-7-17-14(21-10)8(2)18-13(20)9-5-11(15)19-12(6-9)16-3/h5-8H,4H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyDNHNYPCWNGLYQQ-UHFFFAOYSA-N
XLogP3.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
CID 115679317
2-chloro-6-(methylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 103948959
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 113387514
2-chloro-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 62169675
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
2-chloro-6-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389759
2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 109478884
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide
CID 107034319
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide
CID 62180370
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide (CID 115679300) is 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide is CCc1cnc(C(C)NC(=O)c2cc(Cl)nc(NC)c2)s1.
What is the InChIKey of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is DNHNYPCWNGLYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-4-10-7-17-14(21-10)8(2)18-13(20)9-5-11(15)19-12(6-9)16-3/h5-8H,4H2,1-3H3,(H,16,19)(H,18,20).
What are the key properties of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 324.84 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 115679300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).