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

C14H17ClN4OS — CID 114923773

IUPAC5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC(C)c2nccs2)c(Cl)cn1
InChIInChI=1S/C14H17ClN4OS/c1-3-4-16-12-7-10(11(15)8-18-12)13(20)19-9(2)14-17-5-6-21-14/h5-9H,3-4H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyHNVRJBYCWQVYCR-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.50
Rot. Bonds6

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

5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114923773) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID114923773
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC(C)c2nccs2)c(Cl)cn1
InChIInChI=1S/C14H17ClN4OS/c1-3-4-16-12-7-10(11(15)8-18-12)13(20)19-9(2)14-17-5-6-21-14/h5-9H,3-4H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyHNVRJBYCWQVYCR-UHFFFAOYSA-N
XLogP3.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114922662
5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 114923771
2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030816
5-chloro-N-(5-methyl-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 114921617
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
5,6-dichloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612580
5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114924378
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 114923191
N-(5-amino-5-oxopentyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106241124
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 114922691
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 114922305

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (CID 114923773) is 5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is CCCNc1cc(C(=O)NC(C)c2nccs2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is HNVRJBYCWQVYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-3-4-16-12-7-10(11(15)8-18-12)13(20)19-9(2)14-17-5-6-21-14/h5-9H,3-4H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 324.84 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114923773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).