N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C19H16F2N6O — CID 135234243

IUPACN-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESNc1ccc(-c2cccnc2)nc1NC(=O)N1Cc2cnc(C(F)F)cc2C1
InChIInChI=1S/C19H16F2N6O/c20-17(21)16-6-12-9-27(10-13(12)8-24-16)19(28)26-18-14(22)3-4-15(25-18)11-2-1-5-23-7-11/h1-8,17H,9-10,22H2,(H,25,26,28)
InChIKeyIODXLLVFYQYBMT-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.61
Rot. Bonds3

About N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 135234243) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID135234243
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC NameN-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESNc1ccc(-c2cccnc2)nc1NC(=O)N1Cc2cnc(C(F)F)cc2C1
InChIInChI=1S/C19H16F2N6O/c20-17(21)16-6-12-9-27(10-13(12)8-24-16)19(28)26-18-14(22)3-4-15(25-18)11-2-1-5-23-7-11/h1-8,17H,9-10,22H2,(H,25,26,28)
InChIKeyIODXLLVFYQYBMT-UHFFFAOYSA-N
XLogP3.61
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.61
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-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 135234243) is N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is Nc1ccc(-c2cccnc2)nc1NC(=O)N1Cc2cnc(C(F)F)cc2C1.
What is the InChIKey of N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is IODXLLVFYQYBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c20-17(21)16-6-12-9-27(10-13(12)8-24-16)19(28)26-18-14(22)3-4-15(25-18)11-2-1-5-23-7-11/h1-8,17H,9-10,22H2,(H,25,26,28).
What are the key properties of N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-pyridin-3-yl-2-pyridinyl)-6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 135234243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).