5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C21H18FN5O — CID 142836517

IUPAC5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILES[H]/N=C(\C=C\c1cccc(F)c1)c1nc(C(=O)NCc2cccnc2)ccc1N
InChIInChI=1S/C21H18FN5O/c22-16-5-1-3-14(11-16)6-7-17(23)20-18(24)8-9-19(27-20)21(28)26-13-15-4-2-10-25-12-15/h1-12,23H,13,24H2,(H,26,28)/b7-6+,23-17+
InChIKeySINYRRANMKVDEK-BVWURVDYSA-N
MW375.41 g/mol
LogP3.21
Rot. Bonds6

About 5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 142836517) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID142836517
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILES[H]/N=C(\C=C\c1cccc(F)c1)c1nc(C(=O)NCc2cccnc2)ccc1N
InChIInChI=1S/C21H18FN5O/c22-16-5-1-3-14(11-16)6-7-17(23)20-18(24)8-9-19(27-20)21(28)26-13-15-4-2-10-25-12-15/h1-12,23H,13,24H2,(H,26,28)/b7-6+,23-17+
InChIKeySINYRRANMKVDEK-BVWURVDYSA-N
XLogP3.21
TPSA104.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-carbamimidoyl-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59738211
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191278
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283322
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-2-cyano-3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 6122772
N-[2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]ethyl]pyridine-3-carboxamide
CID 39580063
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
6-[2-(3-fluorophenyl)ethylamino]-5-N-(pyridin-3-ylmethyl)pyridine-2,5-dicarboxamide
CID 59738255
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117083141

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 142836517) is 5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is [H]/N=C(\C=C\c1cccc(F)c1)c1nc(C(=O)NCc2cccnc2)ccc1N.
What is the InChIKey of 5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SINYRRANMKVDEK-BVWURVDYSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-16-5-1-3-14(11-16)6-7-17(23)20-18(24)8-9-19(27-20)21(28)26-13-15-4-2-10-25-12-15/h1-12,23H,13,24H2,(H,26,28)/b7-6+,23-17+.
What are the key properties of 5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 142836517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).