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

C22H21N5O — CID 155526363

IUPACN-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccc(-c2cnc(N)c(/N=C/c3ccnc(NC(=O)C4CC4)c3)c2)cc1
InChIInChI=1S/C22H21N5O/c1-14-2-4-16(5-3-14)18-11-19(21(23)26-13-18)25-12-15-8-9-24-20(10-15)27-22(28)17-6-7-17/h2-5,8-13,17H,6-7H2,1H3,(H2,23,26)(H,24,27,28)/b25-12+
InChIKeyHFUKAMJZLWYFQM-BRJLIKDPSA-N
MW371.44 g/mol
LogP4.13
Rot. Bonds5

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

N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 155526363) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID155526363
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccc(-c2cnc(N)c(/N=C/c3ccnc(NC(=O)C4CC4)c3)c2)cc1
InChIInChI=1S/C22H21N5O/c1-14-2-4-16(5-3-14)18-11-19(21(23)26-13-18)25-12-15-8-9-24-20(10-15)27-22(28)17-6-7-17/h2-5,8-13,17H,6-7H2,1H3,(H2,23,26)(H,24,27,28)/b25-12+
InChIKeyHFUKAMJZLWYFQM-BRJLIKDPSA-N
XLogP4.13
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide (CID 155526363) is N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide is Cc1ccc(-c2cnc(N)c(/N=C/c3ccnc(NC(=O)C4CC4)c3)c2)cc1.
What is the InChIKey of N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is HFUKAMJZLWYFQM-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-2-4-16(5-3-14)18-11-19(21(23)26-13-18)25-12-15-8-9-24-20(10-15)27-22(28)17-6-7-17/h2-5,8-13,17H,6-7H2,1H3,(H2,23,26)(H,24,27,28)/b25-12+.
What are the key properties of N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-amino-5-(4-methylphenyl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 155526363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).