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

C9H12F2N4O — CID 114384265

IUPAC4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
SMILESNCC(F)(F)CNc1ccnc(C(N)=O)c1
InChIInChI=1S/C9H12F2N4O/c10-9(11,4-12)5-15-6-1-2-14-7(3-6)8(13)16/h1-3H,4-5,12H2,(H2,13,16)(H,14,15)
InChIKeyOOIJHRDDTQHPHN-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.19
Rot. Bonds5

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

4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide (PubChem CID 114384265) has the molecular formula C9H12F2N4O and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
PubChem CID114384265
Molecular FormulaC9H12F2N4O
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
SMILESNCC(F)(F)CNc1ccnc(C(N)=O)c1
InChIInChI=1S/C9H12F2N4O/c10-9(11,4-12)5-15-6-1-2-14-7(3-6)8(13)16/h1-3H,4-5,12H2,(H2,13,16)(H,14,15)
InChIKeyOOIJHRDDTQHPHN-UHFFFAOYSA-N
XLogP0.19
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxylate
CID 114384333
4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 114384362
4-[(2-methyl-2-phenylpropyl)amino]pyridine-2-carboxamide
CID 60988141
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
4-(6-hydroxyhexylamino)pyridine-2-carboxamide
CID 104880508
4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide
CID 133313933
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887
4-(2,2-diphenylethylamino)pyridine-2-carboxamide
CID 133313862
4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
CID 62228128

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide?
The IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide (CID 114384265) is 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide is NCC(F)(F)CNc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide?
The InChIKey is OOIJHRDDTQHPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O/c10-9(11,4-12)5-15-6-1-2-14-7(3-6)8(13)16/h1-3H,4-5,12H2,(H2,13,16)(H,14,15).
What are the key properties of 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide?
4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide has a molecular weight of 230.22 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 114384265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).