4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

C24H31N5O2 — CID 137282110

IUPAC4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCc1cc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)ccc1C(=O)N1CCCC1
InChIInChI=1S/C24H31N5O2/c1-16-15-18(9-10-19(16)24(31)29-13-5-6-14-29)28-22(25)21-20(11-12-26-23(21)30)27-17-7-3-2-4-8-17/h9-12,15,17H,2-8,13-14H2,1H3,(H2,25,28)(H2,26,27,30)
InChIKeyQSQKPDOWQDCJSH-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.70
Rot. Bonds5

About 4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282110) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282110
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCc1cc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)ccc1C(=O)N1CCCC1
InChIInChI=1S/C24H31N5O2/c1-16-15-18(9-10-19(16)24(31)29-13-5-6-14-29)28-22(25)21-20(11-12-26-23(21)30)27-17-7-3-2-4-8-17/h9-12,15,17H,2-8,13-14H2,1H3,(H2,25,28)(H2,26,27,30)
InChIKeyQSQKPDOWQDCJSH-UHFFFAOYSA-N
XLogP3.70
TPSA103.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (CID 137282110) is 4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is Cc1cc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)ccc1C(=O)N1CCCC1.
What is the InChIKey of 4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is QSQKPDOWQDCJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-16-15-18(9-10-19(16)24(31)29-13-5-6-14-29)28-22(25)21-20(11-12-26-23(21)30)27-17-7-3-2-4-8-17/h9-12,15,17H,2-8,13-14H2,1H3,(H2,25,28)(H2,26,27,30).
What are the key properties of 4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 421.55 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).