2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide

C23H21FN4O — CID 109170646

IUPAC2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccnc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN4O/c24-19-7-5-16(6-8-19)14-28-22-13-17(9-11-25-22)23(29)26-12-10-18-15-27-21-4-2-1-3-20(18)21/h1-9,11,13,15,27H,10,12,14H2,(H,25,28)(H,26,29)
InChIKeyKTXZCTLQMGDTIL-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.29
Rot. Bonds7

About 2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide

2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 109170646) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID109170646
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccnc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN4O/c24-19-7-5-16(6-8-19)14-28-22-13-17(9-11-25-22)23(29)26-12-10-18-15-27-21-4-2-1-3-20(18)21/h1-9,11,13,15,27H,10,12,14H2,(H,25,28)(H,26,29)
InChIKeyKTXZCTLQMGDTIL-UHFFFAOYSA-N
XLogP4.29
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165348
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173692
2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171814
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109167678
2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109170654
2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173684
2-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109166332
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968
N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169978

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide (CID 109170646) is 2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccnc(NCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is KTXZCTLQMGDTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-19-7-5-16(6-8-19)14-28-22-13-17(9-11-25-22)23(29)26-12-10-18-15-27-21-4-2-1-3-20(18)21/h1-9,11,13,15,27H,10,12,14H2,(H,25,28)(H,26,29).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109170646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).