N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide

C21H18FN5O — CID 87307244

IUPACN-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide
SMILESN#Cc1cnc(NCCc2cccc(F)c2)c(N(C=O)Cc2ccccn2)c1
InChIInChI=1S/C21H18FN5O/c22-18-5-3-4-16(10-18)7-9-25-21-20(11-17(12-23)13-26-21)27(15-28)14-19-6-1-2-8-24-19/h1-6,8,10-11,13,15H,7,9,14H2,(H,25,26)
InChIKeyWXJISSDGTBFNDE-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.30
Rot. Bonds8

About N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide

N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide (PubChem CID 87307244) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide
PubChem CID87307244
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC NameN-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide
SMILESN#Cc1cnc(NCCc2cccc(F)c2)c(N(C=O)Cc2ccccn2)c1
InChIInChI=1S/C21H18FN5O/c22-18-5-3-4-16(10-18)7-9-25-21-20(11-17(12-23)13-26-21)27(15-28)14-19-6-1-2-8-24-19/h1-6,8,10-11,13,15H,7,9,14H2,(H,25,26)
InChIKeyWXJISSDGTBFNDE-UHFFFAOYSA-N
XLogP3.30
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-cyano-6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269203
N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269299
N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 43400460
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
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
CID 133294986
N-[2-[2-(3-fluorophenyl)ethylamino]-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302544
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302162
3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
CID 78981152
5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79544897
N-[2-[2-(3-fluorophenyl)ethylamino]-6-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302384
3,5-difluoro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 112675532

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide?
The IUPAC name of N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide (CID 87307244) is N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide.
What is the SMILES notation for N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide?
The canonical SMILES for N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide is N#Cc1cnc(NCCc2cccc(F)c2)c(N(C=O)Cc2ccccn2)c1.
What is the InChIKey of N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide?
The InChIKey is WXJISSDGTBFNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-18-5-3-4-16(10-18)7-9-25-21-20(11-17(12-23)13-26-21)27(15-28)14-19-6-1-2-8-24-19/h1-6,8,10-11,13,15H,7,9,14H2,(H,25,26).
What are the key properties of N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide?
N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide has a molecular weight of 375.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-2-ylmethyl)formamide is sourced from PubChem (CID 87307244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).