5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C25H24FN7O2 — CID 135347718

IUPAC5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccc(CN)cc3)ccc2F)n1
InChIInChI=1S/C25H24FN7O2/c1-15(2)33-14-28-32-23(33)21-4-3-5-22(30-21)31-25(35)19-12-18(10-11-20(19)26)29-24(34)17-8-6-16(13-27)7-9-17/h3-12,14-15H,13,27H2,1-2H3,(H,29,34)(H,30,31,35)
InChIKeyAYAPMNAJCIGWQZ-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.02
Rot. Bonds7

About 5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 135347718) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is 5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID135347718
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccc(CN)cc3)ccc2F)n1
InChIInChI=1S/C25H24FN7O2/c1-15(2)33-14-28-32-23(33)21-4-3-5-22(30-21)31-25(35)19-12-18(10-11-20(19)26)29-24(34)17-8-6-16(13-27)7-9-17/h3-12,14-15H,13,27H2,1-2H3,(H,29,34)(H,30,31,35)
InChIKeyAYAPMNAJCIGWQZ-UHFFFAOYSA-N
XLogP4.02
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 135347718) is 5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccc(CN)cc3)ccc2F)n1.
What is the InChIKey of 5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is AYAPMNAJCIGWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-15(2)33-14-28-32-23(33)21-4-3-5-22(30-21)31-25(35)19-12-18(10-11-20(19)26)29-24(34)17-8-6-16(13-27)7-9-17/h3-12,14-15H,13,27H2,1-2H3,(H,29,34)(H,30,31,35).
What are the key properties of 5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 473.51 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(aminomethyl)benzoyl]amino]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 135347718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).