6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide

C17H19ClFN5O2 — CID 67508276

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C17H19ClFN5O2/c18-9-2-1-3-10(6-9)22-16-11(15(21)25)7-12(19)17(24-16)23-14-4-5-26-8-13(14)20/h1-3,6-7,13-14H,4-5,8,20H2,(H2,21,25)(H2,22,23,24)/t13-,14+/m0/s1
InChIKeyLRSYOKNQPINYKJ-UONOGXRCSA-N
MW379.82 g/mol
LogP2.24
Rot. Bonds5

About 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide (PubChem CID 67508276) has the molecular formula C17H19ClFN5O2 and a molecular weight of 379.82 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide
PubChem CID67508276
Molecular FormulaC17H19ClFN5O2
Molecular Weight379.82 g/mol
Exact Mass379.12
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C17H19ClFN5O2/c18-9-2-1-3-10(6-9)22-16-11(15(21)25)7-12(19)17(24-16)23-14-4-5-26-8-13(14)20/h1-3,6-7,13-14H,4-5,8,20H2,(H2,21,25)(H2,22,23,24)/t13-,14+/m0/s1
InChIKeyLRSYOKNQPINYKJ-UONOGXRCSA-N
XLogP2.24
TPSA115.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide with MolForge

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Related Compounds

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6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide (CID 67508276) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccc(Cl)c1.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide?
The InChIKey is LRSYOKNQPINYKJ-UONOGXRCSA-N. The full InChI is InChI=1S/C17H19ClFN5O2/c18-9-2-1-3-10(6-9)22-16-11(15(21)25)7-12(19)17(24-16)23-14-4-5-26-8-13(14)20/h1-3,6-7,13-14H,4-5,8,20H2,(H2,21,25)(H2,22,23,24)/t13-,14+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide has a molecular weight of 379.82 g/mol, XLogP of 2.24, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-(3-chloroanilino)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 67508276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).