5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide

C22H30N4O — CID 109226245

IUPAC5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(NC3CCCC3)c2)c(C)c1
InChIInChI=1S/C22H30N4O/c1-4-26(5-2)20-10-11-21(16(3)12-20)25-22(27)17-13-19(15-23-14-17)24-18-8-6-7-9-18/h10-15,18,24H,4-9H2,1-3H3,(H,25,27)
InChIKeyJFUXATKQOUWYET-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.84
Rot. Bonds7

About 5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide

5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 109226245) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
PubChem CID109226245
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(NC3CCCC3)c2)c(C)c1
InChIInChI=1S/C22H30N4O/c1-4-26(5-2)20-10-11-21(16(3)12-20)25-22(27)17-13-19(15-23-14-17)24-18-8-6-7-9-18/h10-15,18,24H,4-9H2,1-3H3,(H,25,27)
InChIKeyJFUXATKQOUWYET-UHFFFAOYSA-N
XLogP4.84
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109152230
5-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109183226
4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109205057
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide
CID 109223740
N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235764
N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235192
5-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109226211
5-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700
2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide
CID 109322767
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109295704
5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 109239662
5-(cyclohexylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109226939

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide (CID 109226245) is 5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cncc(NC3CCCC3)c2)c(C)c1.
What is the InChIKey of 5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is JFUXATKQOUWYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-26(5-2)20-10-11-21(16(3)12-20)25-22(27)17-13-19(15-23-14-17)24-18-8-6-7-9-18/h10-15,18,24H,4-9H2,1-3H3,(H,25,27).
What are the key properties of 5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide?
5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109226245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).