N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide

C24H26N4O — CID 109172228

IUPACN-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C24H26N4O/c29-24(26-14-12-19-6-2-1-3-7-19)20-13-15-25-23(18-20)27-21-8-10-22(11-9-21)28-16-4-5-17-28/h1-3,6-11,13,15,18H,4-5,12,14,16-17H2,(H,25,27)(H,26,29)
InChIKeyQCVXSYLXIIEGOY-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.40
Rot. Bonds7

About N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide

N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide (PubChem CID 109172228) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
PubChem CID109172228
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C24H26N4O/c29-24(26-14-12-19-6-2-1-3-7-19)20-13-15-25-23(18-20)27-21-8-10-22(11-9-21)28-16-4-5-17-28/h1-3,6-11,13,15,18H,4-5,12,14,16-17H2,(H,25,27)(H,26,29)
InChIKeyQCVXSYLXIIEGOY-UHFFFAOYSA-N
XLogP4.40
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.40
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-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109169290
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217
2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109172229
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
CID 109167109
2-(4-morpholin-4-ylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092220
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174835
N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109172233
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide (CID 109172228) is N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide is O=C(NCCc1ccccc1)c1ccnc(Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide?
The InChIKey is QCVXSYLXIIEGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(26-14-12-19-6-2-1-3-7-19)20-13-15-25-23(18-20)27-21-8-10-22(11-9-21)28-16-4-5-17-28/h1-3,6-11,13,15,18H,4-5,12,14,16-17H2,(H,25,27)(H,26,29).
What are the key properties of N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide?
N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109172228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).