N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

C23H21FN6O — CID 87269299

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESO=CN(Cc1cccnc1)c1ccc(-c2ccn[nH]2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C23H21FN6O/c24-19-5-1-3-17(13-19)8-11-26-23-22(7-6-20(28-23)21-9-12-27-29-21)30(16-31)15-18-4-2-10-25-14-18/h1-7,9-10,12-14,16H,8,11,15H2,(H,26,28)(H,27,29)
InChIKeyLMNRDACCGCXXFD-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.82
Rot. Bonds9

About N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (PubChem CID 87269299) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
PubChem CID87269299
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESO=CN(Cc1cccnc1)c1ccc(-c2ccn[nH]2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C23H21FN6O/c24-19-5-1-3-17(13-19)8-11-26-23-22(7-6-20(28-23)21-9-12-27-29-21)30(16-31)15-18-4-2-10-25-14-18/h1-7,9-10,12-14,16H,8,11,15H2,(H,26,28)(H,27,29)
InChIKeyLMNRDACCGCXXFD-UHFFFAOYSA-N
XLogP3.82
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-formylthiophen-2-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269605
N-[2-[2-(3-fluorophenyl)ethylamino]-6-[(E)-3-methoxyprop-1-enyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87305642
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302162
N-[2-[2-(3-fluorophenyl)ethylamino]-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302544
N-[2-[2-(3-fluorophenyl)ethylamino]-6-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302384
N-[5-cyano-6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269203
N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269534
N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269434
N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide
CID 87307244
N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269486
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740961
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (CID 87269299) is N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is O=CN(Cc1cccnc1)c1ccc(-c2ccn[nH]2)nc1NCCc1cccc(F)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The InChIKey is LMNRDACCGCXXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c24-19-5-1-3-17(13-19)8-11-26-23-22(7-6-20(28-23)21-9-12-27-29-21)30(16-31)15-18-4-2-10-25-14-18/h1-7,9-10,12-14,16H,8,11,15H2,(H,26,28)(H,27,29).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide has a molecular weight of 416.46 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is sourced from PubChem (CID 87269299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).