N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide

C19H20N4OS — CID 133323217

IUPACN-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide
SMILESCc1cnc(CCNc2ccnc(C(=O)NCc3ccccc3)c2)s1
InChIInChI=1S/C19H20N4OS/c1-14-12-22-18(25-14)8-10-20-16-7-9-21-17(11-16)19(24)23-13-15-5-3-2-4-6-15/h2-7,9,11-12H,8,10,13H2,1H3,(H,20,21)(H,23,24)
InChIKeyOMRJFQHHITUWFY-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.43
Rot. Bonds7

About N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide

N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 133323217) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide
PubChem CID133323217
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide
SMILESCc1cnc(CCNc2ccnc(C(=O)NCc3ccccc3)c2)s1
InChIInChI=1S/C19H20N4OS/c1-14-12-22-18(25-14)8-10-20-16-7-9-21-17(11-16)19(24)23-13-15-5-3-2-4-6-15/h2-7,9,11-12H,8,10,13H2,1H3,(H,20,21)(H,23,24)
InChIKeyOMRJFQHHITUWFY-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210175
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110746418
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide (CID 133323217) is N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide is Cc1cnc(CCNc2ccnc(C(=O)NCc3ccccc3)c2)s1.
What is the InChIKey of N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is OMRJFQHHITUWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-14-12-22-18(25-14)8-10-20-16-7-9-21-17(11-16)19(24)23-13-15-5-3-2-4-6-15/h2-7,9,11-12H,8,10,13H2,1H3,(H,20,21)(H,23,24).
What are the key properties of N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide?
N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 133323217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).