N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide

C11H13F2N3O — CID 114226135

IUPACN-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
SMILESNc1cccnc1NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C11H13F2N3O/c12-11(13)4-3-7(6-11)10(17)16-9-8(14)2-1-5-15-9/h1-2,5,7H,3-4,6,14H2,(H,15,16,17)
InChIKeyBCZNOGBNJZNIEX-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.04
Rot. Bonds2

About N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide

N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 114226135) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
PubChem CID114226135
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC NameN-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
SMILESNc1cccnc1NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C11H13F2N3O/c12-11(13)4-3-7(6-11)10(17)16-9-8(14)2-1-5-15-9/h1-2,5,7H,3-4,6,14H2,(H,15,16,17)
InChIKeyBCZNOGBNJZNIEX-UHFFFAOYSA-N
XLogP2.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid
CID 114226167
N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114098798
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118065427
N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide
CID 89458374
4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103094698
4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide
CID 177192399
(1S)-N-(2-aminosulfanyl-4-pyridinyl)-3,3-difluorocyclohexane-1-carboxamide;1,2-dichlorobenzene
CID 177192771
N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 113391868
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid
CID 90093326
1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide
CID 178021073

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide (CID 114226135) is N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide is Nc1cccnc1NC(=O)C1CCC(F)(F)C1.
What is the InChIKey of N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is BCZNOGBNJZNIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c12-11(13)4-3-7(6-11)10(17)16-9-8(14)2-1-5-15-9/h1-2,5,7H,3-4,6,14H2,(H,15,16,17).
What are the key properties of N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide?
N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 241.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 114226135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).