4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

C24H26N4O — CID 109220342

IUPAC4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C24H26N4O/c1-2-28(21-8-4-3-5-9-21)22-14-15-25-23(18-22)24(29)26-19-10-12-20(13-11-19)27-16-6-7-17-27/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H,26,29)
InChIKeyBDVHTMZDNXPKQN-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.09
Rot. Bonds6

About 4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 109220342) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID109220342
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C24H26N4O/c1-2-28(21-8-4-3-5-9-21)22-14-15-25-23(18-22)24(29)26-19-10-12-20(13-11-19)27-16-6-7-17-27/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H,26,29)
InChIKeyBDVHTMZDNXPKQN-UHFFFAOYSA-N
XLogP5.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
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

N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218448
4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088853
N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220315
2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314243
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
N-tert-butyl-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109216854
N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109211655
N-(4-acetylphenyl)-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109222166

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 109220342) is 4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is CCN(c1ccccc1)c1ccnc(C(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is BDVHTMZDNXPKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-2-28(21-8-4-3-5-9-21)22-14-15-25-23(18-22)24(29)26-19-10-12-20(13-11-19)27-16-6-7-17-27/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H,26,29).
What are the key properties of 4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109220342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).