N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide

C22H16FN5O — CID 146525537

IUPACN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(-c2cccnc2)nc1
InChIInChI=1S/C22H16FN5O/c23-17-6-3-14(4-7-17)20-10-8-18(24)21(27-20)28-22(29)16-5-9-19(26-13-16)15-2-1-11-25-12-15/h1-13H,24H2,(H,27,28,29)
InChIKeyFRGLYRMTPORECM-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.18
Rot. Bonds4

About N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 146525537) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide
PubChem CID146525537
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(-c2cccnc2)nc1
InChIInChI=1S/C22H16FN5O/c23-17-6-3-14(4-7-17)20-10-8-18(24)21(27-20)28-22(29)16-5-9-19(26-13-16)15-2-1-11-25-12-15/h1-13H,24H2,(H,27,28,29)
InChIKeyFRGLYRMTPORECM-UHFFFAOYSA-N
XLogP4.18
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide (CID 146525537) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide is Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(-c2cccnc2)nc1.
What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is FRGLYRMTPORECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O/c23-17-6-3-14(4-7-17)20-10-8-18(24)21(27-20)28-22(29)16-5-9-19(26-13-16)15-2-1-11-25-12-15/h1-13H,24H2,(H,27,28,29).
What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide?
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 146525537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).