4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide

C13H20F2N4O — CID 114384362

IUPAC4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCC(F)(F)CN)ccn1
InChIInChI=1S/C13H20F2N4O/c1-3-19(4-2)12(20)11-7-10(5-6-17-11)18-9-13(14,15)8-16/h5-7H,3-4,8-9,16H2,1-2H3,(H,17,18)
InChIKeyONBYZXHXFHVWEL-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.57
Rot. Bonds7

About 4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide

4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide (PubChem CID 114384362) has the molecular formula C13H20F2N4O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
PubChem CID114384362
Molecular FormulaC13H20F2N4O
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCC(F)(F)CN)ccn1
InChIInChI=1S/C13H20F2N4O/c1-3-19(4-2)12(20)11-7-10(5-6-17-11)18-9-13(14,15)8-16/h5-7H,3-4,8-9,16H2,1-2H3,(H,17,18)
InChIKeyONBYZXHXFHVWEL-UHFFFAOYSA-N
XLogP1.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
CID 114384265
methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxylate
CID 114384333
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
CID 106290832
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide
CID 106222471
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide (CID 114384362) is 4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(NCC(F)(F)CN)ccn1.
What is the InChIKey of 4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is ONBYZXHXFHVWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O/c1-3-19(4-2)12(20)11-7-10(5-6-17-11)18-9-13(14,15)8-16/h5-7H,3-4,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide?
4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 114384362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).