6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide

C17H20F2N6O — CID 67509232

IUPAC6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCCCN(c1nc(Nc2cncc(F)c2)c(C(N)=O)cc1F)C1(N)CC1
InChIInChI=1S/C17H20F2N6O/c1-2-5-25(17(21)3-4-17)16-13(19)7-12(14(20)26)15(24-16)23-11-6-10(18)8-22-9-11/h6-9H,2-5,21H2,1H3,(H2,20,26)(H,23,24)
InChIKeyVAWNZVGMZYXVPA-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.26
Rot. Bonds7

About 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide

6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 67509232) has the molecular formula C17H20F2N6O and a molecular weight of 362.38 g/mol. Its IUPAC name is 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID67509232
Molecular FormulaC17H20F2N6O
Molecular Weight362.38 g/mol
Exact Mass362.17
IUPAC Name6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCCCN(c1nc(Nc2cncc(F)c2)c(C(N)=O)cc1F)C1(N)CC1
InChIInChI=1S/C17H20F2N6O/c1-2-5-25(17(21)3-4-17)16-13(19)7-12(14(20)26)15(24-16)23-11-6-10(18)8-22-9-11/h6-9H,2-5,21H2,1H3,(H2,20,26)(H,23,24)
InChIKeyVAWNZVGMZYXVPA-UHFFFAOYSA-N
XLogP2.26
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide (CID 67509232) is 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide is CCCN(c1nc(Nc2cncc(F)c2)c(C(N)=O)cc1F)C1(N)CC1.
What is the InChIKey of 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is VAWNZVGMZYXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N6O/c1-2-5-25(17(21)3-4-17)16-13(19)7-12(14(20)26)15(24-16)23-11-6-10(18)8-22-9-11/h6-9H,2-5,21H2,1H3,(H2,20,26)(H,23,24).
What are the key properties of 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 67509232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).