N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide

C20H19N5OS — CID 151422375

IUPACN-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1csc(-c2cnc(N)c(/N=C/c3ccnc(NC(=O)C4CC4)c3)c2)c1
InChIInChI=1S/C20H19N5OS/c1-12-6-17(27-11-12)15-8-16(19(21)24-10-15)23-9-13-4-5-22-18(7-13)25-20(26)14-2-3-14/h4-11,14H,2-3H2,1H3,(H2,21,24)(H,22,25,26)/b23-9+
InChIKeyPAUUDXGWLDDBGV-NUGSKGIGSA-N
MW377.47 g/mol
LogP4.19
Rot. Bonds5

About N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 151422375) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID151422375
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1csc(-c2cnc(N)c(/N=C/c3ccnc(NC(=O)C4CC4)c3)c2)c1
InChIInChI=1S/C20H19N5OS/c1-12-6-17(27-11-12)15-8-16(19(21)24-10-15)23-9-13-4-5-22-18(7-13)25-20(26)14-2-3-14/h4-11,14H,2-3H2,1H3,(H2,21,24)(H,22,25,26)/b23-9+
InChIKeyPAUUDXGWLDDBGV-NUGSKGIGSA-N
XLogP4.19
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Dipyridodiazepinone deriv. 44
CID 463564
Dipyridodiazepinone deriv. 45
CID 463565
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-thiophen-2-yl-2-pyridinyl)acetamide
CID 71601389
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192866
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide
CID 134145841
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-3-yl-2-pyridinyl)acetamide
CID 134156936
Thiophene-2-carboxylic acid [5-(2,2-dimethyl-propionylamino)-4-methyl-pyridin-2-yl]-amide
CID 1449124
Thiophene-2-carboxylic acid (5-isobutyrylamino-4-methyl-pyridin-2-yl)-amide
CID 1449519
5-(N-[3-thiophenecarbonyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CID 11046087
5-(N-[2-thiophenecarbonyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CID 11056946
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-thiophen-3-yl-2-pyridinyl)acetamide
CID 71601255

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide (CID 151422375) is N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide is Cc1csc(-c2cnc(N)c(/N=C/c3ccnc(NC(=O)C4CC4)c3)c2)c1.
What is the InChIKey of N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is PAUUDXGWLDDBGV-NUGSKGIGSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-12-6-17(27-11-12)15-8-16(19(21)24-10-15)23-9-13-4-5-22-18(7-13)25-20(26)14-2-3-14/h4-11,14H,2-3H2,1H3,(H2,21,24)(H,22,25,26)/b23-9+.
What are the key properties of N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 151422375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).