N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide

C24H26N4O — CID 109156245

IUPACN-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)nc1)c1ccccc1
InChIInChI=1S/C24H26N4O/c1-18(19-7-3-2-4-8-19)26-24(29)20-9-14-23(25-17-20)27-21-10-12-22(13-11-21)28-15-5-6-16-28/h2-4,7-14,17-18H,5-6,15-16H2,1H3,(H,25,27)(H,26,29)
InChIKeyDQWKBMRZCNACMK-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.92
Rot. Bonds6

About N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide

N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 109156245) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
PubChem CID109156245
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)nc1)c1ccccc1
InChIInChI=1S/C24H26N4O/c1-18(19-7-3-2-4-8-19)26-24(29)20-9-14-23(25-17-20)27-21-10-12-22(13-11-21)28-15-5-6-16-28/h2-4,7-14,17-18H,5-6,15-16H2,1H3,(H,25,27)(H,26,29)
InChIKeyDQWKBMRZCNACMK-UHFFFAOYSA-N
XLogP4.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.92
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

N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156235
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109163238
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 136671359
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661
6-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide (CID 109156245) is N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide is CC(NC(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)nc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is DQWKBMRZCNACMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18(19-7-3-2-4-8-19)26-24(29)20-9-14-23(25-17-20)27-21-10-12-22(13-11-21)28-15-5-6-16-28/h2-4,7-14,17-18H,5-6,15-16H2,1H3,(H,25,27)(H,26,29).
What are the key properties of N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109156245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).