4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine

C21H20FN5 — CID 123860640

IUPAC4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine
SMILES[H]/N=C(/c1cc(-c2cncc(N3CCCC3)c2)ncc1N)c1ccccc1F
InChIInChI=1S/C21H20FN5/c22-18-6-2-1-5-16(18)21(24)17-10-20(26-13-19(17)23)14-9-15(12-25-11-14)27-7-3-4-8-27/h1-2,5-6,9-13,24H,3-4,7-8,23H2/b24-21+
InChIKeyCFKRHXBUDBWQAL-DARPEHSRSA-N
MW361.42 g/mol
LogP3.88
Rot. Bonds4

About 4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine

4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine (PubChem CID 123860640) has the molecular formula C21H20FN5 and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine
PubChem CID123860640
Molecular FormulaC21H20FN5
Molecular Weight361.42 g/mol
Exact Mass361.17
IUPAC Name4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine
SMILES[H]/N=C(/c1cc(-c2cncc(N3CCCC3)c2)ncc1N)c1ccccc1F
InChIInChI=1S/C21H20FN5/c22-18-6-2-1-5-16(18)21(24)17-10-20(26-13-19(17)23)14-9-15(12-25-11-14)27-7-3-4-8-27/h1-2,5-6,9-13,24H,3-4,7-8,23H2/b24-21+
InChIKeyCFKRHXBUDBWQAL-DARPEHSRSA-N
XLogP3.88
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine
CID 123726198
acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine
CID 144529529
4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
CID 123997725
4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine
CID 144529735
1-[5-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]azepan-4-amine
CID 71253819
4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine
CID 144529562
1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-bromo-2-pyridinyl]azepan-4-amine
CID 123512302
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
CID 123808337
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
CID 144529536
4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine
CID 144795261
4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine
CID 144529500

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine?
The IUPAC name of 4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine (CID 123860640) is 4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine?
The canonical SMILES for 4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine is [H]/N=C(/c1cc(-c2cncc(N3CCCC3)c2)ncc1N)c1ccccc1F.
What is the InChIKey of 4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine?
The InChIKey is CFKRHXBUDBWQAL-DARPEHSRSA-N. The full InChI is InChI=1S/C21H20FN5/c22-18-6-2-1-5-16(18)21(24)17-10-20(26-13-19(17)23)14-9-15(12-25-11-14)27-7-3-4-8-27/h1-2,5-6,9-13,24H,3-4,7-8,23H2/b24-21+.
What are the key properties of 4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine?
4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine has a molecular weight of 361.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 123860640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).