6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine

C20H21FN6 — CID 137401549

IUPAC6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine
SMILESC=C(Nc1ccccn1)N(C)c1nc(-c2cncc(C(C)F)c2)ccc1N
InChIInChI=1S/C20H21FN6/c1-13(21)15-10-16(12-23-11-15)18-8-7-17(22)20(26-18)27(3)14(2)25-19-6-4-5-9-24-19/h4-13H,2,22H2,1,3H3,(H,24,25)
InChIKeyHHXFCACNTQXOIT-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.17
Rot. Bonds6

About 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine

6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine (PubChem CID 137401549) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine
PubChem CID137401549
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine
SMILESC=C(Nc1ccccn1)N(C)c1nc(-c2cncc(C(C)F)c2)ccc1N
InChIInChI=1S/C20H21FN6/c1-13(21)15-10-16(12-23-11-15)18-8-7-17(22)20(26-18)27(3)14(2)25-19-6-4-5-9-24-19/h4-13H,2,22H2,1,3H3,(H,24,25)
InChIKeyHHXFCACNTQXOIT-UHFFFAOYSA-N
XLogP4.17
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine with MolForge

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Related Compounds

1-N'-[6-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-3-methyl-2-pyridinyl]-1-N'-methyl-1-N-pyrazin-2-ylethene-1,1-diamine
CID 137400561
5-amino-N-pyridin-2-ylpyridine-3-carboxamide
CID 110488361
1-(pyridin-2-ylamino)ethanol
CID 20521375
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895
N-(2-amino-4-methylphenyl)-N'-pyridin-2-yloxamide
CID 108525984
2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
CID 58090461
4-amino-N-pyridin-2-ylpyridine-3-carboxamide
CID 81236875
ethyl N-(N'-propan-2-yl-N-pyridin-2-ylcarbamimidoyl)carbamate
CID 11064833
1-[3-amino-6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-1-cyclobutyl-3-pyrazin-2-ylurea
CID 130437526
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
N-pent-1-en-2-ylpyridin-2-amine
CID 129060161
2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine?
The IUPAC name of 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine (CID 137401549) is 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine?
The canonical SMILES for 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine is C=C(Nc1ccccn1)N(C)c1nc(-c2cncc(C(C)F)c2)ccc1N.
What is the InChIKey of 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine?
The InChIKey is HHXFCACNTQXOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c1-13(21)15-10-16(12-23-11-15)18-8-7-17(22)20(26-18)27(3)14(2)25-19-6-4-5-9-24-19/h4-13H,2,22H2,1,3H3,(H,24,25).
What are the key properties of 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine?
6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine has a molecular weight of 364.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine is sourced from PubChem (CID 137401549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).