N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

C22H31N5O — CID 109186876

IUPACN-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(N(CC)CC)cc3)nc2)CC1
InChIInChI=1S/C22H31N5O/c1-4-25-13-15-27(16-14-25)20-11-12-21(23-17-20)22(28)24-18-7-9-19(10-8-18)26(5-2)6-3/h7-12,17H,4-6,13-16H2,1-3H3,(H,24,28)
InChIKeySYFSUWSGWPOUET-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.32
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109186876) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109186876
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(N(CC)CC)cc3)nc2)CC1
InChIInChI=1S/C22H31N5O/c1-4-25-13-15-27(16-14-25)20-11-12-21(23-17-20)22(28)24-18-7-9-19(10-8-18)26(5-2)6-3/h7-12,17H,4-6,13-16H2,1-3H3,(H,24,28)
InChIKeySYFSUWSGWPOUET-UHFFFAOYSA-N
XLogP3.32
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186830
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254269
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504102
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326121
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
5-(4-ethylpiperazin-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109186854
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (CID 109186876) is N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is CCN1CCN(c2ccc(C(=O)Nc3ccc(N(CC)CC)cc3)nc2)CC1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is SYFSUWSGWPOUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-4-25-13-15-27(16-14-25)20-11-12-21(23-17-20)22(28)24-18-7-9-19(10-8-18)26(5-2)6-3/h7-12,17H,4-6,13-16H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109186876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).