N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide

C9H11F2N3O2 — CID 104954953

IUPACN-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H11F2N3O2/c10-9(11,4-12)5-14-8(16)6-1-2-13-7(15)3-6/h1-3H,4-5,12H2,(H,13,15)(H,14,16)
InChIKeyDNQKNPWIJRGCRX-UHFFFAOYSA-N
MW231.20 g/mol
LogP-0.30
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide

N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 104954953) has the molecular formula C9H11F2N3O2 and a molecular weight of 231.20 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID104954953
Molecular FormulaC9H11F2N3O2
Molecular Weight231.20 g/mol
Exact Mass231.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H11F2N3O2/c10-9(11,4-12)5-14-8(16)6-1-2-13-7(15)3-6/h1-3H,4-5,12H2,(H,13,15)(H,14,16)
InChIKeyDNQKNPWIJRGCRX-UHFFFAOYSA-N
XLogP-0.30
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-4-(trifluoromethyl)nicotinamide
CID 542065
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CID 77080610
2-oxo-N-(2-sulfanylethyl)-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 177680165
3-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide
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1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
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6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 68721257
3-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]propylcarbamic acid
CID 68896418
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84558717
1-[3-(Chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one
CID 89092388
5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 122269141
2-ethenyl-N-(3,3,3-trifluoropropyl)but-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide (CID 104954953) is N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide is NCC(F)(F)CNC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is DNQKNPWIJRGCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2/c10-9(11,4-12)5-14-8(16)6-1-2-13-7(15)3-6/h1-3H,4-5,12H2,(H,13,15)(H,14,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 231.20 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 104954953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).