2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide

C15H25FN4O — CID 105384966

IUPAC2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nccc(CNC(C)(C)C)c1F
InChIInChI=1S/C15H25FN4O/c1-5-7-17-12(21)10-19-14-13(16)11(6-8-18-14)9-20-15(2,3)4/h6,8,20H,5,7,9-10H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyRJMJSSHBTAJNIO-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.05
Rot. Bonds7

About 2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide

2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide (PubChem CID 105384966) has the molecular formula C15H25FN4O and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide
PubChem CID105384966
Molecular FormulaC15H25FN4O
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC Name2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nccc(CNC(C)(C)C)c1F
InChIInChI=1S/C15H25FN4O/c1-5-7-17-12(21)10-19-14-13(16)11(6-8-18-14)9-20-15(2,3)4/h6,8,20H,5,7,9-10H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyRJMJSSHBTAJNIO-UHFFFAOYSA-N
XLogP2.05
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545
4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 105384550
2-(tert-butylamino)-N-propylacetamide
CID 28586578
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
CID 106537629
4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 105386429
2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide
CID 133383092
4-[(cyclopropylamino)methyl]-3-fluoro-N-propylpyridin-2-amine
CID 105390346
N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine
CID 105387168
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine
CID 105387499

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide (CID 105384966) is 2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide is CCCNC(=O)CNc1nccc(CNC(C)(C)C)c1F.
What is the InChIKey of 2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide?
The InChIKey is RJMJSSHBTAJNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4O/c1-5-7-17-12(21)10-19-14-13(16)11(6-8-18-14)9-20-15(2,3)4/h6,8,20H,5,7,9-10H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of 2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide?
2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide has a molecular weight of 296.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide is sourced from PubChem (CID 105384966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).