N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide

C17H19N5OS — CID 86854952

IUPACN-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1cccc(NC(=O)CCNCc2cn[nH]c2-c2cccs2)n1
InChIInChI=1S/C17H19N5OS/c1-12-4-2-6-15(20-12)21-16(23)7-8-18-10-13-11-19-22-17(13)14-5-3-9-24-14/h2-6,9,11,18H,7-8,10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyTZIKXFDUCFVRBE-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.96
Rot. Bonds7

About N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide

N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 86854952) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID86854952
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1cccc(NC(=O)CCNCc2cn[nH]c2-c2cccs2)n1
InChIInChI=1S/C17H19N5OS/c1-12-4-2-6-15(20-12)21-16(23)7-8-18-10-13-11-19-22-17(13)14-5-3-9-24-14/h2-6,9,11,18H,7-8,10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyTZIKXFDUCFVRBE-UHFFFAOYSA-N
XLogP2.96
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 86854953
N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 86854951
4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]butanamide
CID 60863763
(E)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115628993
3-methylsulfonyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 54905369
3,3-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 47185945
N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride
CID 86776335
2-(3-methylphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 62314088
3-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115733069
N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115575837
N-[3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 49462341
1-(4-methyl-3-pyridinyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 114954740

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide (CID 86854952) is N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide is Cc1cccc(NC(=O)CCNCc2cn[nH]c2-c2cccs2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is TZIKXFDUCFVRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-4-2-6-15(20-12)21-16(23)7-8-18-10-13-11-19-22-17(13)14-5-3-9-24-14/h2-6,9,11,18H,7-8,10H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 341.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 86854952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).